N-(4-acetylphenyl)-4-methoxybenzenesulfonamide

C15H15NO4S — CID 743413

IUPACN-(4-acetylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C15H15NO4S/c1-11(17)12-3-5-13(6-4-12)16-21(18,19)15-9-7-14(20-2)8-10-15/h3-10,16H,1-2H3
InChIKeyDABXEKMBGSYDJV-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.70
Rot. Bonds5

About N-(4-acetylphenyl)-4-methoxybenzenesulfonamide

N-(4-acetylphenyl)-4-methoxybenzenesulfonamide (PubChem CID 743413) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-methoxybenzenesulfonamide
PubChem CID743413
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC NameN-(4-acetylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C15H15NO4S/c1-11(17)12-3-5-13(6-4-12)16-21(18,19)15-9-7-14(20-2)8-10-15/h3-10,16H,1-2H3
InChIKeyDABXEKMBGSYDJV-UHFFFAOYSA-N
XLogP2.70
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Aminosulfonyl)phenyl 4-((aminoiminomethyl)amino)benzoate
CID 127139
3-[(4-Methoxyphenyl)sulfamoyl]benzoic acid
CID 766535
2-[(3,4-Dimethoxyphenyl)sulfonylamino]benzamide
CID 778405
Methyl 3-{[(4-methoxyphenyl)sulfonyl]amino}-4-methylbenzoate
CID 1122589
4-{[(2-Methoxyphenyl)amino]sulfonyl}benzamide
CID 2098777
N-Hydroxy-3-[4-(4-methoxy-benzenesulfonylamino)-phenyl]-acrylamide
CID 10247137
S-[2-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 11280414
Thioacetic acid S-{2-oxo-2-[4-(4-trifluoromethoxy-benzenesulfonylamino)-phenyl]-ethyl}ester
CID 11430433
S-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2-oxoethyl] ethanethioate
CID 11509729
S-[2-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-2-oxoethyl] ethanethioate
CID 11538378
S-[2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]ethyl] ethanethioate
CID 11604452
S-[2-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 11625086

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-4-methoxybenzenesulfonamide (CID 743413) is N-(4-acetylphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is DABXEKMBGSYDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-11(17)12-3-5-13(6-4-12)16-21(18,19)15-9-7-14(20-2)8-10-15/h3-10,16H,1-2H3.
What are the key properties of N-(4-acetylphenyl)-4-methoxybenzenesulfonamide?
N-(4-acetylphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 743413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).