3-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide

C19H17NO3S2 — CID 72719573

IUPAC3-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCc2ccccc2-c2ccsc2)c1
InChIInChI=1S/C19H17NO3S2/c1-14(21)15-6-4-7-18(11-15)25(22,23)20-12-16-5-2-3-8-19(16)17-9-10-24-13-17/h2-11,13,20H,12H2,1H3
InChIKeyLNAWHVHVPPTMLN-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.10
Rot. Bonds6

About 3-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide

3-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide (PubChem CID 72719573) has the molecular formula C19H17NO3S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
PubChem CID72719573
Molecular FormulaC19H17NO3S2
Molecular Weight371.48 g/mol
Exact Mass371.06
IUPAC Name3-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCc2ccccc2-c2ccsc2)c1
InChIInChI=1S/C19H17NO3S2/c1-14(21)15-6-4-7-18(11-15)25(22,23)20-12-16-5-2-3-8-19(16)17-9-10-24-13-17/h2-11,13,20H,12H2,1H3
InChIKeyLNAWHVHVPPTMLN-UHFFFAOYSA-N
XLogP4.10
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597091
3,4-dimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597078
4-fluoro-3-methyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 71809982
4-tert-butyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597107
4-(2-methylphenoxy)-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597144
3-acetyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide
CID 39660374
3-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
CID 103710722
3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 39665559
5-fluoro-2-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597100
3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
CID 110780749
3-acetyl-N-(3,3-dimethyl-2-oxobutyl)benzenesulfonamide
CID 64994049
3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide
CID 61410420

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide (CID 72719573) is 3-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCc2ccccc2-c2ccsc2)c1.
What is the InChIKey of 3-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is LNAWHVHVPPTMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S2/c1-14(21)15-6-4-7-18(11-15)25(22,23)20-12-16-5-2-3-8-19(16)17-9-10-24-13-17/h2-11,13,20H,12H2,1H3.
What are the key properties of 3-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide?
3-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide has a molecular weight of 371.48 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 72719573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).