CAS
94094-55-0 Purity
96%
94094-55-0 Purity
96%
![[4-[[3-Butoxy-2-[(hydroxypropoxyphosphinyl)oxy]propyl]ethylamino]-O-tolyl]bis[4-(diethylammonio)phenyl]methylium](https://resource.alfa-chemistry.com/structure/94094-63-0.gif)
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N-[4-Hydroxy-3-(1-oxo-3-phenylallyl)phenyl]benzenesulfonamide
CAS
94094-59-4
Catalog Number
ACM94094594
Category
Other Products
Molecular Weight
379.428980 [g/mol]
Molecular Formula
C21H17NO4S
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Specification
Synonyms
EINECS 302-162-0, CID6366416, N-(4-Hydroxy-3-(1-oxo-3-phenylallyl)phenyl)benzenesulphonamide, 94094-59-4
IUPAC Name
N-[4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide
Canonical SMILES
C1=CC=C(C=C1)C=CC(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)O
InChI Key
WAGPHWCQZLAVCA-ACCUITESSA-N
Boiling Point
603ºC at 760mmHg
Flash Point
318.5ºC
Density
1.367g/cm³
EC Number
302-162-0
Exact Mass
379.08800
H-Bond Acceptor
5
H-Bond Donor
2
What is the molecular formula of the compound?
The molecular formula of the compound is C21H17NO4S.
What is the molecular weight of the compound?
The molecular weight of the compound is 379.4 g/mol.
What are some synonyms of the compound?
Some synonyms of the compound include N-(4-Hydroxy-3-(1-oxo-3-phenylallyl)phenyl)benzenesulphonamide and N-[4-HYDROXY-3-(1-OXO-3-PHENYLALLYL)PHENYL]BENZENESULFONAMIDE.
What is the InChIKey of the compound?
The InChIKey of the compound is WAGPHWCQZLAVCA-ACCUITESSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the exact mass of the compound?
The exact mass of the compound is 379.08782920 g/mol.
How many rotatable bond counts does the compound have?
The compound has 6 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 91.8 Å2.
How many heavy atoms are present in the compound?
There are 27 heavy atoms present in the compound.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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