N-(1-benzothiophen-5-yl)-2-methylsulfonylbenzamide

C16H13NO3S2 — CID 7267028

IUPACN-(1-benzothiophen-5-yl)-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C16H13NO3S2/c1-22(19,20)15-5-3-2-4-13(15)16(18)17-12-6-7-14-11(10-12)8-9-21-14/h2-10H,1H3,(H,17,18)
InChIKeyAFZFZKUNAQFCBI-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.56
Rot. Bonds3

About N-(1-benzothiophen-5-yl)-2-methylsulfonylbenzamide

N-(1-benzothiophen-5-yl)-2-methylsulfonylbenzamide (PubChem CID 7267028) has the molecular formula C16H13NO3S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-2-methylsulfonylbenzamide
PubChem CID7267028
Molecular FormulaC16H13NO3S2
Molecular Weight331.42 g/mol
Exact Mass331.03
IUPAC NameN-(1-benzothiophen-5-yl)-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C16H13NO3S2/c1-22(19,20)15-5-3-2-4-13(15)16(18)17-12-6-7-14-11(10-12)8-9-21-14/h2-10H,1H3,(H,17,18)
InChIKeyAFZFZKUNAQFCBI-UHFFFAOYSA-N
XLogP3.56
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzothiophen-5-yl)-2-methylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-2-methylsulfonylbenzamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-2-methylsulfonylbenzamide (CID 7267028) is N-(1-benzothiophen-5-yl)-2-methylsulfonylbenzamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-2-methylsulfonylbenzamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-2-methylsulfonylbenzamide is CS(=O)(=O)c1ccccc1C(=O)Nc1ccc2sccc2c1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-2-methylsulfonylbenzamide?
The InChIKey is AFZFZKUNAQFCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S2/c1-22(19,20)15-5-3-2-4-13(15)16(18)17-12-6-7-14-11(10-12)8-9-21-14/h2-10H,1H3,(H,17,18).
What are the key properties of N-(1-benzothiophen-5-yl)-2-methylsulfonylbenzamide?
N-(1-benzothiophen-5-yl)-2-methylsulfonylbenzamide has a molecular weight of 331.42 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-2-methylsulfonylbenzamide is sourced from PubChem (CID 7267028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).