3-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide

C22H17ClN2O4S2 — CID 4880279

IUPAC3-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1
InChIInChI=1S/C22H17ClN2O4S2/c1-29-18-11-4-3-10-17(18)25-31(27,28)15-8-6-7-14(13-15)24-22(26)21-20(23)16-9-2-5-12-19(16)30-21/h2-13,25H,1H3,(H,24,26)
InChIKeyBVUVYIRFTZHYBX-UHFFFAOYSA-N
MW472.98 g/mol
LogP5.62
Rot. Bonds6

About 3-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 4880279) has the molecular formula C22H17ClN2O4S2 and a molecular weight of 472.98 g/mol. Its IUPAC name is 3-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide
PubChem CID4880279
Molecular FormulaC22H17ClN2O4S2
Molecular Weight472.98 g/mol
Exact Mass472.03
IUPAC Name3-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1
InChIInChI=1S/C22H17ClN2O4S2/c1-29-18-11-4-3-10-17(18)25-31(27,28)15-8-6-7-14(13-15)24-22(26)21-20(23)16-9-2-5-12-19(16)30-21/h2-13,25H,1H3,(H,24,26)
InChIKeyBVUVYIRFTZHYBX-UHFFFAOYSA-N
XLogP5.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.98
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 15945391
3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-6-methoxyphenyl]-1-benzothiophene-2-carboxamide
CID 18377031
3-chloro-N-(4-ethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 678908
2-[(5-chloro-2-thiophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)benzamide
CID 2359990
3,6-dichloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide
CID 3711670
3,6-dichloro-N-[5-[(2-chlorophenyl)sulfamoyl]-2-hydroxy-phenyl]benzothiophene-2-carboxamide
CID 4112897
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 4211075
3,6-dichloro-N-[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide
CID 4327745
N-[5-[(2-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 5012901
3-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
CID 11730189
N-(2-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide 5,5-dioxide
CID 16193758
3-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-benzothiophene-2-carboxamide
CID 2940180

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide (CID 4880279) is 3-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide is COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1.
What is the InChIKey of 3-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is BVUVYIRFTZHYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O4S2/c1-29-18-11-4-3-10-17(18)25-31(27,28)15-8-6-7-14(13-15)24-22(26)21-20(23)16-9-2-5-12-19(16)30-21/h2-13,25H,1H3,(H,24,26).
What are the key properties of 3-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 472.98 g/mol, XLogP of 5.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 4880279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).