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

C19H17NO3S2 — CID 90597091

IUPAC4-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccccc2-c2ccsc2)cc1
InChIInChI=1S/C19H17NO3S2/c1-14(21)15-6-8-18(9-7-15)25(22,23)20-12-16-4-2-3-5-19(16)17-10-11-24-13-17/h2-11,13,20H,12H2,1H3
InChIKeyQLEMWIBLRDBAEI-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.10
Rot. Bonds6

About 4-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide

4-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide (PubChem CID 90597091) has the molecular formula C19H17NO3S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
PubChem CID90597091
Molecular FormulaC19H17NO3S2
Molecular Weight371.48 g/mol
Exact Mass371.06
IUPAC Name4-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccccc2-c2ccsc2)cc1
InChIInChI=1S/C19H17NO3S2/c1-14(21)15-6-8-18(9-7-15)25(22,23)20-12-16-4-2-3-5-19(16)17-10-11-24-13-17/h2-11,13,20H,12H2,1H3
InChIKeyQLEMWIBLRDBAEI-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

3-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 72719573
4-tert-butyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597107
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-(2-methylphenoxy)-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597144
4-(diethylsulfamoyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 121145078
5-fluoro-2-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597100
3-[(4-acetylphenyl)sulfonylamino]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 56503578
4-(4-fluorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596881
2-[(2-fluorophenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 90596889
4-acetyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 3783005
4-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
CID 103710698

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide (CID 90597091) is 4-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCc2ccccc2-c2ccsc2)cc1.
What is the InChIKey of 4-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is QLEMWIBLRDBAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S2/c1-14(21)15-6-8-18(9-7-15)25(22,23)20-12-16-4-2-3-5-19(16)17-10-11-24-13-17/h2-11,13,20H,12H2,1H3.
What are the key properties of 4-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide?
4-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 4-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 90597091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).