6-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide

C17H15FN2O3S2 — CID 39965104

IUPAC6-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccc(F)cc3s2)cc1
InChIInChI=1S/C17H15FN2O3S2/c18-13-4-3-12-9-16(24-15(12)10-13)17(21)20-8-7-11-1-5-14(6-2-11)25(19,22)23/h1-6,9-10H,7-8H2,(H,20,21)(H2,19,22,23)
InChIKeyDNEZVFHFRRDWMU-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.66
Rot. Bonds5

About 6-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide

6-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 39965104) has the molecular formula C17H15FN2O3S2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 6-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID39965104
Molecular FormulaC17H15FN2O3S2
Molecular Weight378.45 g/mol
Exact Mass378.05
IUPAC Name6-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccc(F)cc3s2)cc1
InChIInChI=1S/C17H15FN2O3S2/c18-13-4-3-12-9-16(24-15(12)10-13)17(21)20-8-7-11-1-5-14(6-2-11)25(19,22)23/h1-6,9-10H,7-8H2,(H,20,21)(H2,19,22,23)
InChIKeyDNEZVFHFRRDWMU-UHFFFAOYSA-N
XLogP2.66
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 9402339
5-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 26643926
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-fluoro-1-benzothiophene-2-carboxylate
CID 30149057
6-fluoro-N-(3-iodopropyl)-1-benzothiophene-2-carboxamide
CID 114503955
6-fluoro-N-[2-(propan-2-ylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 81105182
N-[2-(4-fluorophenyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide
CID 9402533
N-(5-amino-5-sulfanylidenepentyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104862
N-(2-amino-2-sulfanylideneethyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104448
5-fluoro-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 45493285
N-(2-azidoethyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104542
6-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-1-benzothiophene-2-carboxamide
CID 78913758
4-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9166306

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide (CID 39965104) is 6-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccc(F)cc3s2)cc1.
What is the InChIKey of 6-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is DNEZVFHFRRDWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S2/c18-13-4-3-12-9-16(24-15(12)10-13)17(21)20-8-7-11-1-5-14(6-2-11)25(19,22)23/h1-6,9-10H,7-8H2,(H,20,21)(H2,19,22,23).
What are the key properties of 6-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide?
6-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 39965104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).