5-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide

C16H13FN2O3S2 — CID 26643926

IUPAC5-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc3cc(F)ccc3s2)cc1
InChIInChI=1S/C16H13FN2O3S2/c17-12-3-6-14-11(7-12)8-15(23-14)16(20)19-9-10-1-4-13(5-2-10)24(18,21)22/h1-8H,9H2,(H,19,20)(H2,18,21,22)
InChIKeyCRHMZNRWOCFPHP-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.62
Rot. Bonds4

About 5-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide

5-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 26643926) has the molecular formula C16H13FN2O3S2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 5-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID26643926
Molecular FormulaC16H13FN2O3S2
Molecular Weight364.42 g/mol
Exact Mass364.04
IUPAC Name5-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc3cc(F)ccc3s2)cc1
InChIInChI=1S/C16H13FN2O3S2/c17-12-3-6-14-11(7-12)8-15(23-14)16(20)19-9-10-1-4-13(5-2-10)24(18,21)22/h1-8H,9H2,(H,19,20)(H2,18,21,22)
InChIKeyCRHMZNRWOCFPHP-UHFFFAOYSA-N
XLogP2.62
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.62
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-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 27259768
6-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 39965104
4-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9166306
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-fluoro-1-benzothiophene-2-carboxylate
CID 30149057
5-fluoro-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 55689322
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
5-fluoro-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
CID 18110082
N-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119627888
5-fluoro-N-[(3-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9456291
5-amino-N-[(4-chlorophenyl)methyl]-1-benzothiophene-2-carboxamide
CID 61095308
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-fluoro-1-benzothiophene-2-carboxamide
CID 18140560

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide (CID 26643926) is 5-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2cc3cc(F)ccc3s2)cc1.
What is the InChIKey of 5-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is CRHMZNRWOCFPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S2/c17-12-3-6-14-11(7-12)8-15(23-14)16(20)19-9-10-1-4-13(5-2-10)24(18,21)22/h1-8H,9H2,(H,19,20)(H2,18,21,22).
What are the key properties of 5-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide?
5-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 26643926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).