3-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide

C17H15ClN2O3S2 — CID 1080680

IUPAC3-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2sc3ccccc3c2Cl)cc1
InChIInChI=1S/C17H15ClN2O3S2/c18-15-13-3-1-2-4-14(13)24-16(15)17(21)20-10-9-11-5-7-12(8-6-11)25(19,22)23/h1-8H,9-10H2,(H,20,21)(H2,19,22,23)
InChIKeyGQRCHISWJAAWLQ-UHFFFAOYSA-N
MW394.91 g/mol
LogP3.17
Rot. Bonds5

About 3-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 1080680) has the molecular formula C17H15ClN2O3S2 and a molecular weight of 394.91 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID1080680
Molecular FormulaC17H15ClN2O3S2
Molecular Weight394.91 g/mol
Exact Mass394.02
IUPAC Name3-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2sc3ccccc3c2Cl)cc1
InChIInChI=1S/C17H15ClN2O3S2/c18-15-13-3-1-2-4-14(13)24-16(15)17(21)20-10-9-11-5-7-12(8-6-11)25(19,22)23/h1-8H,9-10H2,(H,20,21)(H2,19,22,23)
InChIKeyGQRCHISWJAAWLQ-UHFFFAOYSA-N
XLogP3.17
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-(2-(3-(2-chlorophenylsulfonyl)ureido)ethyl)phenyl)-N,N,5,7-tetramethylbenzo[b]thiophene-2-carboxamide
CID 53323177
3-(4-(2-(3-(4-chlorophenylsulfonyl)ureido)ethyl)phenyl)-N,N,5,7-tetramethylbenzo[b]thiophene-2-carboxamide
CID 53325840
3-chloro-N-cyclopropyl-1-benzothiophene-2-carboxamide
CID 673330
3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 18163749
N-{(1S)-1-[({3-[[(2,4-dichlorophenyl)sulfonyl](methyl)amino]propyl}amino)carbonyl]-3-methylbutyl}-1-benzothiophene-2-carboxamide
CID 11713900
4-({benzyl[(4-chlorophenyl)sulfonyl]amino}methyl)-N-(2-thienylmethyl)benzamide
CID 46891078
3-chloro-N-ethyl-6-methyl-1-benzothiophene-2-carboxamide
CID 874448
N-(4-sulfamoylbenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1247036
3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-benzothiophene-2-carboxamide
CID 2973977
N-benzyl-3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-benzothiophene-2-carboxamide
CID 3586407
3-chloro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 9111151
N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 9438056

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide (CID 1080680) is 3-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2sc3ccccc3c2Cl)cc1.
What is the InChIKey of 3-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is GQRCHISWJAAWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S2/c18-15-13-3-1-2-4-14(13)24-16(15)17(21)20-10-9-11-5-7-12(8-6-11)25(19,22)23/h1-8H,9-10H2,(H,20,21)(H2,19,22,23).
What are the key properties of 3-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 394.91 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1080680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).