N-(1-benzothiophen-3-ylmethyl)-4-methylbenzenesulfonamide

C16H15NO2S2 — CID 2826167

IUPACN-(1-benzothiophen-3-ylmethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2csc3ccccc23)cc1
InChIInChI=1S/C16H15NO2S2/c1-12-6-8-14(9-7-12)21(18,19)17-10-13-11-20-16-5-3-2-4-15(13)16/h2-9,11,17H,10H2,1H3
InChIKeyGGOAWUQFHPPYGL-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.69
Rot. Bonds4

About N-(1-benzothiophen-3-ylmethyl)-4-methylbenzenesulfonamide

N-(1-benzothiophen-3-ylmethyl)-4-methylbenzenesulfonamide (PubChem CID 2826167) has the molecular formula C16H15NO2S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-4-methylbenzenesulfonamide
PubChem CID2826167
Molecular FormulaC16H15NO2S2
Molecular Weight317.44 g/mol
Exact Mass317.05
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2csc3ccccc23)cc1
InChIInChI=1S/C16H15NO2S2/c1-12-6-8-14(9-7-12)21(18,19)17-10-13-11-20-16-5-3-2-4-15(13)16/h2-9,11,17H,10H2,1H3
InChIKeyGGOAWUQFHPPYGL-UHFFFAOYSA-N
XLogP3.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-4-methylbenzenesulfonamide (CID 2826167) is N-(1-benzothiophen-3-ylmethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2csc3ccccc23)cc1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-4-methylbenzenesulfonamide?
The InChIKey is GGOAWUQFHPPYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S2/c1-12-6-8-14(9-7-12)21(18,19)17-10-13-11-20-16-5-3-2-4-15(13)16/h2-9,11,17H,10H2,1H3.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-4-methylbenzenesulfonamide?
N-(1-benzothiophen-3-ylmethyl)-4-methylbenzenesulfonamide has a molecular weight of 317.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 2826167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).