5-bromo-N-[4-fluoro-3-(methanesulfonamido)phenyl]thiophene-2-carboxamide

C12H10BrFN2O3S2 — CID 60727246

IUPAC5-bromo-N-[4-fluoro-3-(methanesulfonamido)phenyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)c2ccc(Br)s2)ccc1F
InChIInChI=1S/C12H10BrFN2O3S2/c1-21(18,19)16-9-6-7(2-3-8(9)14)15-12(17)10-4-5-11(13)20-10/h2-6,16H,1H3,(H,15,17)
InChIKeyTXJFAYXPEOMTQQ-UHFFFAOYSA-N
MW393.26 g/mol
LogP3.27
Rot. Bonds4

About 5-bromo-N-[4-fluoro-3-(methanesulfonamido)phenyl]thiophene-2-carboxamide

5-bromo-N-[4-fluoro-3-(methanesulfonamido)phenyl]thiophene-2-carboxamide (PubChem CID 60727246) has the molecular formula C12H10BrFN2O3S2 and a molecular weight of 393.26 g/mol. Its IUPAC name is 5-bromo-N-[4-fluoro-3-(methanesulfonamido)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-fluoro-3-(methanesulfonamido)phenyl]thiophene-2-carboxamide
PubChem CID60727246
Molecular FormulaC12H10BrFN2O3S2
Molecular Weight393.26 g/mol
Exact Mass391.93
IUPAC Name5-bromo-N-[4-fluoro-3-(methanesulfonamido)phenyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)c2ccc(Br)s2)ccc1F
InChIInChI=1S/C12H10BrFN2O3S2/c1-21(18,19)16-9-6-7(2-3-8(9)14)15-12(17)10-4-5-11(13)20-10/h2-6,16H,1H3,(H,15,17)
InChIKeyTXJFAYXPEOMTQQ-UHFFFAOYSA-N
XLogP3.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
CID 25487071
5-bromo-N-(5-bromo-2-fluorophenyl)thiophene-2-carboxamide
CID 61076675
2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
CID 62732998
2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide
CID 79814001
N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24685843
N-(3-acetamido-4-methoxyphenyl)-5-bromothiophene-2-carboxamide
CID 33307814
5-bromo-N-(2,6-difluoro-3-methylphenyl)thiophene-2-carboxamide
CID 82818843
ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate
CID 60728396
5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-2-carboxamide
CID 61061949
5-bromo-N-(3-chloro-5-fluorophenyl)thiophene-2-carboxamide
CID 103774691
N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-hydroxybutanamide
CID 79201442
2-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-methylbutanamide
CID 43712924

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-fluoro-3-(methanesulfonamido)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-fluoro-3-(methanesulfonamido)phenyl]thiophene-2-carboxamide (CID 60727246) is 5-bromo-N-[4-fluoro-3-(methanesulfonamido)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-fluoro-3-(methanesulfonamido)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-fluoro-3-(methanesulfonamido)phenyl]thiophene-2-carboxamide is CS(=O)(=O)Nc1cc(NC(=O)c2ccc(Br)s2)ccc1F.
What is the InChIKey of 5-bromo-N-[4-fluoro-3-(methanesulfonamido)phenyl]thiophene-2-carboxamide?
The InChIKey is TXJFAYXPEOMTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O3S2/c1-21(18,19)16-9-6-7(2-3-8(9)14)15-12(17)10-4-5-11(13)20-10/h2-6,16H,1H3,(H,15,17).
What are the key properties of 5-bromo-N-[4-fluoro-3-(methanesulfonamido)phenyl]thiophene-2-carboxamide?
5-bromo-N-[4-fluoro-3-(methanesulfonamido)phenyl]thiophene-2-carboxamide has a molecular weight of 393.26 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-fluoro-3-(methanesulfonamido)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 60727246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).