5-bromo-N-(2-fluoro-4-sulfamoylphenyl)-4-methylthiophene-2-carboxamide

C12H10BrFN2O3S2 — CID 79999807

IUPAC5-bromo-N-(2-fluoro-4-sulfamoylphenyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2F)sc1Br
InChIInChI=1S/C12H10BrFN2O3S2/c1-6-4-10(20-11(6)13)12(17)16-9-3-2-7(5-8(9)14)21(15,18)19/h2-5H,1H3,(H,16,17)(H2,15,18,19)
InChIKeyRMFACXWBOKSDCO-UHFFFAOYSA-N
MW393.26 g/mol
LogP2.86
Rot. Bonds3

About 5-bromo-N-(2-fluoro-4-sulfamoylphenyl)-4-methylthiophene-2-carboxamide

5-bromo-N-(2-fluoro-4-sulfamoylphenyl)-4-methylthiophene-2-carboxamide (PubChem CID 79999807) has the molecular formula C12H10BrFN2O3S2 and a molecular weight of 393.26 g/mol. Its IUPAC name is 5-bromo-N-(2-fluoro-4-sulfamoylphenyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-fluoro-4-sulfamoylphenyl)-4-methylthiophene-2-carboxamide
PubChem CID79999807
Molecular FormulaC12H10BrFN2O3S2
Molecular Weight393.26 g/mol
Exact Mass391.93
IUPAC Name5-bromo-N-(2-fluoro-4-sulfamoylphenyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2F)sc1Br
InChIInChI=1S/C12H10BrFN2O3S2/c1-6-4-10(20-11(6)13)12(17)16-9-3-2-7(5-8(9)14)21(15,18)19/h2-5H,1H3,(H,16,17)(H2,15,18,19)
InChIKeyRMFACXWBOKSDCO-UHFFFAOYSA-N
XLogP2.86
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide
CID 79999800
5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide
CID 103586267
4-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid
CID 79981534
N-(2-bromo-4-sulfamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65238411
5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 107592608
2,5-dibromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-3-carboxamide
CID 107965284
N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide
CID 61129962
3-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide
CID 63297240
N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976427
N-[2-amino-4-(trifluoromethyl)phenyl]-5-bromo-4-methylthiophene-2-carboxamide
CID 79975104
3-amino-4-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 79981305
4,5-dibromo-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide
CID 80534332

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-fluoro-4-sulfamoylphenyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-fluoro-4-sulfamoylphenyl)-4-methylthiophene-2-carboxamide (CID 79999807) is 5-bromo-N-(2-fluoro-4-sulfamoylphenyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-fluoro-4-sulfamoylphenyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-fluoro-4-sulfamoylphenyl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2F)sc1Br.
What is the InChIKey of 5-bromo-N-(2-fluoro-4-sulfamoylphenyl)-4-methylthiophene-2-carboxamide?
The InChIKey is RMFACXWBOKSDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O3S2/c1-6-4-10(20-11(6)13)12(17)16-9-3-2-7(5-8(9)14)21(15,18)19/h2-5H,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 5-bromo-N-(2-fluoro-4-sulfamoylphenyl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(2-fluoro-4-sulfamoylphenyl)-4-methylthiophene-2-carboxamide has a molecular weight of 393.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-fluoro-4-sulfamoylphenyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79999807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).