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

C16H13FN2O3S2 — CID 9166306

IUPAC4-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc3c(F)cccc3s2)cc1
InChIInChI=1S/C16H13FN2O3S2/c17-13-2-1-3-14-12(13)8-15(23-14)16(20)19-9-10-4-6-11(7-5-10)24(18,21)22/h1-8H,9H2,(H,19,20)(H2,18,21,22)
InChIKeyLRWUZPVBYXWKSY-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.62
Rot. Bonds4

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

4-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 9166306) has the molecular formula C16H13FN2O3S2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 4-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID9166306
Molecular FormulaC16H13FN2O3S2
Molecular Weight364.42 g/mol
Exact Mass364.04
IUPAC Name4-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc3c(F)cccc3s2)cc1
InChIInChI=1S/C16H13FN2O3S2/c17-13-2-1-3-14-12(13)8-15(23-14)16(20)19-9-10-4-6-11(7-5-10)24(18,21)22/h1-8H,9H2,(H,19,20)(H2,18,21,22)
InChIKeyLRWUZPVBYXWKSY-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

4-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9455401
5-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 26643926
N-[(3-acetamidophenyl)methyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 39573905
8-fluoro-4-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-quinoline-2-carboxamide
CID 74232223
2,3,4-trifluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 17248737
6-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 39965104
5-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 9402339
N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 46650848
N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
2-[[2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465286
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
1-[2-(3-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea
CID 108901185

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide (CID 9166306) is 4-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2cc3c(F)cccc3s2)cc1.
What is the InChIKey of 4-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is LRWUZPVBYXWKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S2/c17-13-2-1-3-14-12(13)8-15(23-14)16(20)19-9-10-4-6-11(7-5-10)24(18,21)22/h1-8H,9H2,(H,19,20)(H2,18,21,22).
What are the key properties of 4-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide?
4-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 4-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 9166306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).