5-chloro-N-(2-methyl-5-methylsulfonylphenyl)-1-benzofuran-2-carboxamide

C17H14ClNO4S — CID 26812074

IUPAC5-chloro-N-(2-methyl-5-methylsulfonylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H14ClNO4S/c1-10-3-5-13(24(2,21)22)9-14(10)19-17(20)16-8-11-7-12(18)4-6-15(11)23-16/h3-9H,1-2H3,(H,19,20)
InChIKeyFSLAUVVKORYSSP-UHFFFAOYSA-N
MW363.82 g/mol
LogP4.05
Rot. Bonds3

About 5-chloro-N-(2-methyl-5-methylsulfonylphenyl)-1-benzofuran-2-carboxamide

5-chloro-N-(2-methyl-5-methylsulfonylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 26812074) has the molecular formula C17H14ClNO4S and a molecular weight of 363.82 g/mol. Its IUPAC name is 5-chloro-N-(2-methyl-5-methylsulfonylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methyl-5-methylsulfonylphenyl)-1-benzofuran-2-carboxamide
PubChem CID26812074
Molecular FormulaC17H14ClNO4S
Molecular Weight363.82 g/mol
Exact Mass363.03
IUPAC Name5-chloro-N-(2-methyl-5-methylsulfonylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H14ClNO4S/c1-10-3-5-13(24(2,21)22)9-14(10)19-17(20)16-8-11-7-12(18)4-6-15(11)23-16/h3-9H,1-2H3,(H,19,20)
InChIKeyFSLAUVVKORYSSP-UHFFFAOYSA-N
XLogP4.05
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-(2-methyl-5-methylsulfonylphenyl)-1-benzofuran-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

Related Compounds

5-chloro-N-(4-chloro-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 9138973
5-chloro-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide
CID 46485499
N-(4-bromo-2-methylphenyl)-5-chloro-1-benzofuran-2-carboxamide
CID 9159182
5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 9328773
5-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-benzofuran-2-carboxamide
CID 99818760
5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 9138991
5-chloro-N-(3,5-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 19240955
N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
CID 19240925
N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26909371
5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 19240981
3,4-dichloro-N-(2-methyl-5-methylsulfonylphenyl)benzamide
CID 27990929
5-chloro-N-(2,6-difluorophenyl)-1-benzofuran-2-carboxamide
CID 51217226

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methyl-5-methylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-methyl-5-methylsulfonylphenyl)-1-benzofuran-2-carboxamide (CID 26812074) is 5-chloro-N-(2-methyl-5-methylsulfonylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methyl-5-methylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methyl-5-methylsulfonylphenyl)-1-benzofuran-2-carboxamide is Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-N-(2-methyl-5-methylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is FSLAUVVKORYSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO4S/c1-10-3-5-13(24(2,21)22)9-14(10)19-17(20)16-8-11-7-12(18)4-6-15(11)23-16/h3-9H,1-2H3,(H,19,20).
What are the key properties of 5-chloro-N-(2-methyl-5-methylsulfonylphenyl)-1-benzofuran-2-carboxamide?
5-chloro-N-(2-methyl-5-methylsulfonylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 363.82 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methyl-5-methylsulfonylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26812074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).