3-bromo-2-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide

C11H10BrFN4O3S — CID 107953731

IUPAC3-bromo-2-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
SMILESCn1cc(S(N)(=O)=O)c(NC(=O)c2cccc(Br)c2F)n1
InChIInChI=1S/C11H10BrFN4O3S/c1-17-5-8(21(14,19)20)10(16-17)15-11(18)6-3-2-4-7(12)9(6)13/h2-5H,1H3,(H2,14,19,20)(H,15,16,18)
InChIKeyQRLBQFJAMLIJGT-UHFFFAOYSA-N
MW377.20 g/mol
LogP1.22
Rot. Bonds3

About 3-bromo-2-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide

3-bromo-2-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide (PubChem CID 107953731) has the molecular formula C11H10BrFN4O3S and a molecular weight of 377.20 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
PubChem CID107953731
Molecular FormulaC11H10BrFN4O3S
Molecular Weight377.20 g/mol
Exact Mass375.96
IUPAC Name3-bromo-2-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
SMILESCn1cc(S(N)(=O)=O)c(NC(=O)c2cccc(Br)c2F)n1
InChIInChI=1S/C11H10BrFN4O3S/c1-17-5-8(21(14,19)20)10(16-17)15-11(18)6-3-2-4-7(12)9(6)13/h2-5H,1H3,(H2,14,19,20)(H,15,16,18)
InChIKeyQRLBQFJAMLIJGT-UHFFFAOYSA-N
XLogP1.22
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 81111625
2,4-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61129231
2-methoxy-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61129046
3,5-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61131914
2,4-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61129233
5-bromo-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-2-carboxamide
CID 61128864
2-chloro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-3-carboxamide
CID 106689384
4-bromo-1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrrole-2-carboxamide
CID 61131380
1-(4-fluorophenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
CID 61132441
3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide
CID 106548195
N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyridine-3-carboxamide
CID 61131144
5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)-1,2-oxazole-4-carboxamide
CID 61131374

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide?
The IUPAC name of 3-bromo-2-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide (CID 107953731) is 3-bromo-2-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide is Cn1cc(S(N)(=O)=O)c(NC(=O)c2cccc(Br)c2F)n1.
What is the InChIKey of 3-bromo-2-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide?
The InChIKey is QRLBQFJAMLIJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4O3S/c1-17-5-8(21(14,19)20)10(16-17)15-11(18)6-3-2-4-7(12)9(6)13/h2-5H,1H3,(H2,14,19,20)(H,15,16,18).
What are the key properties of 3-bromo-2-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide?
3-bromo-2-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide has a molecular weight of 377.20 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide is sourced from PubChem (CID 107953731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).