3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide

C15H15NO3S2 — CID 2486497

IUPAC3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2cccc(C(C)=O)c2)c1
InChIInChI=1S/C15H15NO3S2/c1-11(17)12-5-3-8-15(9-12)21(18,19)16-13-6-4-7-14(10-13)20-2/h3-10,16H,1-2H3
InChIKeyYWJSIYXLNQQMNO-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.41
Rot. Bonds5

About 3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide

3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide (PubChem CID 2486497) has the molecular formula C15H15NO3S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
PubChem CID2486497
Molecular FormulaC15H15NO3S2
Molecular Weight321.42 g/mol
Exact Mass321.05
IUPAC Name3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2cccc(C(C)=O)c2)c1
InChIInChI=1S/C15H15NO3S2/c1-11(17)12-5-3-8-15(9-12)21(18,19)16-13-6-4-7-14(10-13)20-2/h3-10,16H,1-2H3
InChIKeyYWJSIYXLNQQMNO-UHFFFAOYSA-N
XLogP3.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813585
4-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)benzamide
CID 1253766
N-[5-[(3-acetylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100686383
3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951365
1-(3-acetylphenyl)-3-(3-methylsulfanylphenyl)thiourea
CID 53489029
2-methyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzamide
CID 2991974
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970
3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775761
3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide
CID 43604435
4-[[3-[(3-acetylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1355824
3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970291
N-[3-(benzenesulfonamido)phenyl]-4-methylsulfanylbenzamide
CID 78875489

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide (CID 2486497) is 3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide is CSc1cccc(NS(=O)(=O)c2cccc(C(C)=O)c2)c1.
What is the InChIKey of 3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide?
The InChIKey is YWJSIYXLNQQMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S2/c1-11(17)12-5-3-8-15(9-12)21(18,19)16-13-6-4-7-14(10-13)20-2/h3-10,16H,1-2H3.
What are the key properties of 3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide?
3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide has a molecular weight of 321.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 2486497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).