4-acetyl-N-(1-benzothiophen-3-ylmethyl)benzenesulfonamide

C17H15NO3S2 — CID 3682893

IUPAC4-acetyl-N-(1-benzothiophen-3-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2csc3ccccc23)cc1
InChIInChI=1S/C17H15NO3S2/c1-12(19)13-6-8-15(9-7-13)23(20,21)18-10-14-11-22-17-5-3-2-4-16(14)17/h2-9,11,18H,10H2,1H3
InChIKeyKUNGJCIBFLJCSB-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.58
Rot. Bonds5

About 4-acetyl-N-(1-benzothiophen-3-ylmethyl)benzenesulfonamide

4-acetyl-N-(1-benzothiophen-3-ylmethyl)benzenesulfonamide (PubChem CID 3682893) has the molecular formula C17H15NO3S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-acetyl-N-(1-benzothiophen-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(1-benzothiophen-3-ylmethyl)benzenesulfonamide
PubChem CID3682893
Molecular FormulaC17H15NO3S2
Molecular Weight345.45 g/mol
Exact Mass345.05
IUPAC Name4-acetyl-N-(1-benzothiophen-3-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2csc3ccccc23)cc1
InChIInChI=1S/C17H15NO3S2/c1-12(19)13-6-8-15(9-7-13)23(20,21)18-10-14-11-22-17-5-3-2-4-16(14)17/h2-9,11,18H,10H2,1H3
InChIKeyKUNGJCIBFLJCSB-UHFFFAOYSA-N
XLogP3.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(1-benzothiophen-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(1-benzothiophen-3-ylmethyl)benzenesulfonamide (CID 3682893) is 4-acetyl-N-(1-benzothiophen-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(1-benzothiophen-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(1-benzothiophen-3-ylmethyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCc2csc3ccccc23)cc1.
What is the InChIKey of 4-acetyl-N-(1-benzothiophen-3-ylmethyl)benzenesulfonamide?
The InChIKey is KUNGJCIBFLJCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S2/c1-12(19)13-6-8-15(9-7-13)23(20,21)18-10-14-11-22-17-5-3-2-4-16(14)17/h2-9,11,18H,10H2,1H3.
What are the key properties of 4-acetyl-N-(1-benzothiophen-3-ylmethyl)benzenesulfonamide?
4-acetyl-N-(1-benzothiophen-3-ylmethyl)benzenesulfonamide has a molecular weight of 345.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(1-benzothiophen-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 3682893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).