3-chloro-N-phenyl-1-benzothiophene-2-carboxamide

C15H10ClNOS — CID 607035

IUPAC3-chloro-N-phenyl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)c1sc2ccccc2c1Cl
InChIInChI=1S/C15H10ClNOS/c16-13-11-8-4-5-9-12(11)19-14(13)15(18)17-10-6-2-1-3-7-10/h1-9H,(H,17,18)
InChIKeyDIHCMBKHZVCJBL-UHFFFAOYSA-N
MW287.77 g/mol
LogP4.81
Rot. Bonds2

About 3-chloro-N-phenyl-1-benzothiophene-2-carboxamide

3-chloro-N-phenyl-1-benzothiophene-2-carboxamide (PubChem CID 607035) has the molecular formula C15H10ClNOS and a molecular weight of 287.77 g/mol. Its IUPAC name is 3-chloro-N-phenyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-phenyl-1-benzothiophene-2-carboxamide
PubChem CID607035
Molecular FormulaC15H10ClNOS
Molecular Weight287.77 g/mol
Exact Mass287.02
IUPAC Name3-chloro-N-phenyl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)c1sc2ccccc2c1Cl
InChIInChI=1S/C15H10ClNOS/c16-13-11-8-4-5-9-12(11)19-14(13)15(18)17-10-6-2-1-3-7-10/h1-9H,(H,17,18)
InChIKeyDIHCMBKHZVCJBL-UHFFFAOYSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-phenyl-1-benzothiophene-2-carboxamide 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 3-chloro-N-phenyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-phenyl-1-benzothiophene-2-carboxamide (CID 607035) is 3-chloro-N-phenyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-phenyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-phenyl-1-benzothiophene-2-carboxamide is O=C(Nc1ccccc1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-phenyl-1-benzothiophene-2-carboxamide?
The InChIKey is DIHCMBKHZVCJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNOS/c16-13-11-8-4-5-9-12(11)19-14(13)15(18)17-10-6-2-1-3-7-10/h1-9H,(H,17,18).
What are the key properties of 3-chloro-N-phenyl-1-benzothiophene-2-carboxamide?
3-chloro-N-phenyl-1-benzothiophene-2-carboxamide has a molecular weight of 287.77 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-phenyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 607035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).