4-Ethynylbenzenesulfonamide

• CAS: 1788-08-5
• Catalog Number: ACM1788085
• Category: Other Products
• Molecular Weight: 181.21
• Molecular Formula: C₈H₇NO₂S
• Synonyms: Benzenesulfonamide, 4-ethynyl- (9CI);4-ethynylbenzenesulfonamide;4-ethynylbenzene-1-sulfonaMide;BenzenesulfonaMide, 4-ethynyl-;4-Ethynybenzenesulfonamide

Custom Q&A

What is the molecular formula of 4-ethynylbenzenesulfonamide?

The molecular formula of 4-ethynylbenzenesulfonamide is C8H7NO2S.

When was 4-ethynylbenzenesulfonamide created and last modified?

4-ethynylbenzenesulfonamide was created on November 19, 2009, and last modified on December 30, 2023.

What is the IUPAC name of 4-ethynylbenzenesulfonamide?

The IUPAC name of 4-ethynylbenzenesulfonamide is 4-ethynylbenzenesulfonamide.

What is the InChI code for 4-ethynylbenzenesulfonamide?

The InChI code for 4-ethynylbenzenesulfonamide is InChI=1S/C8H7NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h1,3-6H,(H2,9,10,11).

What is the molecular weight of 4-ethynylbenzenesulfonamide?

The molecular weight of 4-ethynylbenzenesulfonamide is 181.21 g/mol.

What is the Canonical SMILES representation of 4-ethynylbenzenesulfonamide?

The Canonical SMILES representation of 4-ethynylbenzenesulfonamide is C#CC1=CC=C(C=C1)S(=O)(=O)N.

What is the CAS number for 4-ethynylbenzenesulfonamide?

The CAS number for 4-ethynylbenzenesulfonamide is 1788-08-5.

How many hydrogen bond donor counts does 4-ethynylbenzenesulfonamide have?

4-ethynylbenzenesulfonamide has 1 hydrogen bond donor count.

What is the topological polar surface area of 4-ethynylbenzenesulfonamide?

The topological polar surface area of 4-ethynylbenzenesulfonamide is 68.5 Å2.

Is 4-ethynylbenzenesulfonamide a canonicalized compound?

Yes, 4-ethynylbenzenesulfonamide is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 775331-26-5

• 1788-08-5

Reference: [1] MedChemComm, 2018, vol. 9, # 3, p. 534 - 544

Upstream Synthesis Route 2

• 701-34-8

• 1788-08-5

Reference: [1] Organic and biomolecular chemistry, 2003, vol. 1, # 3, p. 498 - 506
[2] Patent: WO2014/82286, 2014, A1,
[3] MedChemComm, 2018, vol. 9, # 3, p. 534 - 544

Upstream Synthesis Route 3

• 701-34-8
• 1066-54-2

• 1788-08-5

Reference: [1] Patent: WO2006/71184, 2006, A1, . Location in patent: Page/Page column 15