N-(4-acetylphenyl)-2-cyanobenzenesulfonamide

C15H12N2O3S — CID 40655133

IUPACN-(4-acetylphenyl)-2-cyanobenzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1
InChIInChI=1S/C15H12N2O3S/c1-11(18)12-6-8-14(9-7-12)17-21(19,20)15-5-3-2-4-13(15)10-16/h2-9,17H,1H3
InChIKeyUNOUMMBMCYAJQW-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.56
Rot. Bonds4

About N-(4-acetylphenyl)-2-cyanobenzenesulfonamide

N-(4-acetylphenyl)-2-cyanobenzenesulfonamide (PubChem CID 40655133) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-cyanobenzenesulfonamide
PubChem CID40655133
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC NameN-(4-acetylphenyl)-2-cyanobenzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1
InChIInChI=1S/C15H12N2O3S/c1-11(18)12-6-8-14(9-7-12)17-21(19,20)15-5-3-2-4-13(15)10-16/h2-9,17H,1H3
InChIKeyUNOUMMBMCYAJQW-UHFFFAOYSA-N
XLogP2.56
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylphenyl)-2-cyanobenzenesulfonamide
CID 29287347
N-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 9330046
2-cyano-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856654
N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 60532816
N-(2-cyanophenyl)sulfonyl-2,2-dimethylpropanamide
CID 129263111
4-[2-[3-[(2-cyanophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 11545943
2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide
CID 110777228
N-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide
CID 31670142
N-(6-acetylnaphthalen-2-yl)-2-nitrobenzenesulfonamide
CID 53468341
N-(4-acetylphenyl)-5-fluorothiophene-2-sulfonamide
CID 91969494
N-(4-acetylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 3621069
8-cyano-N-(4-fluorophenyl)naphthalene-1-sulfonamide
CID 629814

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-cyanobenzenesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-2-cyanobenzenesulfonamide (CID 40655133) is N-(4-acetylphenyl)-2-cyanobenzenesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-cyanobenzenesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-2-cyanobenzenesulfonamide is CC(=O)c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-cyanobenzenesulfonamide?
The InChIKey is UNOUMMBMCYAJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-11(18)12-6-8-14(9-7-12)17-21(19,20)15-5-3-2-4-13(15)10-16/h2-9,17H,1H3.
What are the key properties of N-(4-acetylphenyl)-2-cyanobenzenesulfonamide?
N-(4-acetylphenyl)-2-cyanobenzenesulfonamide has a molecular weight of 300.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-cyanobenzenesulfonamide is sourced from PubChem (CID 40655133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).