CAS
93118-03-7 Purity
98%
93118-03-7 Purity
98%
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Benzenesulfonamide,N-cyclohexyl-3-nitro-
CAS
93125-79-2
Catalog Number
ACM93125792
Category
Other Products
Molecular Weight
284.33
Molecular Formula
C12H16N2O4S
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Specification
Synonyms
Ambcb6114601, NCIOpen2_002767, NSC61574, MolPort-002-184-839, CID247208, STK025510, ZINC04369126, N-cyclohexyl-3-nitrobenzenesulfonamide, 93125-79-2
IUPAC Name
N-cyclohexyl-3-nitrobenzenesulfonamide
Canonical SMILES
C1CCC(CC1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]
InChI Key
NEMRFPHOJNZVTN-UHFFFAOYSA-N
Boiling Point
444.2ºC at 760mmHg
Flash Point
222.5ºC
Density
1.35g/cm³
Exact Mass
284.08300
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of Benzenesulfonamide, N-cyclohexyl-3-nitro?
The molecular formula is C12H16N2O4S.
What is the molecular weight of Benzenesulfonamide, N-cyclohexyl-3-nitro?
The molecular weight is 284.33 g/mol.
What is the IUPAC name of Benzenesulfonamide, N-cyclohexyl-3-nitro?
The IUPAC name is N-cyclohexyl-3-nitrobenzenesulfonamide.
What is the InChI of Benzenesulfonamide, N-cyclohexyl-3-nitro?
The InChI is InChI=1S/C12H16N2O4S/c15-14(16)11-7-4-8-12(9-11)19(17,18)13-10-5-2-1-3-6-10/h4,7-10,13H,1-3,5-6H2.
What is the InChIKey of Benzenesulfonamide, N-cyclohexyl-3-nitro?
The InChIKey is NEMRFPHOJNZVTN-UHFFFAOYSA-N.
How many hydrogen bond donor counts does Benzenesulfonamide, N-cyclohexyl-3-nitro have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value of Benzenesulfonamide, N-cyclohexyl-3-nitro?
The XLogP3-AA value is 2.5.
What is the topological polar surface area of Benzenesulfonamide, N-cyclohexyl-3-nitro?
The topological polar surface area is 100 Å2.
How many rotatable bond counts does Benzenesulfonamide, N-cyclohexyl-3-nitro have?
It has 3 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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