3,5-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide

C11H10F2N4O3S — CID 61131914

IUPAC3,5-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
SMILESCn1cc(S(N)(=O)=O)c(NC(=O)c2cc(F)cc(F)c2)n1
InChIInChI=1S/C11H10F2N4O3S/c1-17-5-9(21(14,19)20)10(16-17)15-11(18)6-2-7(12)4-8(13)3-6/h2-5H,1H3,(H2,14,19,20)(H,15,16,18)
InChIKeyCBCORDPKGLMXTI-UHFFFAOYSA-N
MW316.29 g/mol
LogP0.60
Rot. Bonds3

About 3,5-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide

3,5-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide (PubChem CID 61131914) has the molecular formula C11H10F2N4O3S and a molecular weight of 316.29 g/mol. Its IUPAC name is 3,5-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
PubChem CID61131914
Molecular FormulaC11H10F2N4O3S
Molecular Weight316.29 g/mol
Exact Mass316.04
IUPAC Name3,5-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
SMILESCn1cc(S(N)(=O)=O)c(NC(=O)c2cc(F)cc(F)c2)n1
InChIInChI=1S/C11H10F2N4O3S/c1-17-5-9(21(14,19)20)10(16-17)15-11(18)6-2-7(12)4-8(13)3-6/h2-5H,1H3,(H2,14,19,20)(H,15,16,18)
InChIKeyCBCORDPKGLMXTI-UHFFFAOYSA-N
XLogP0.60
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrazole-4-carboxamide
CID 61132038
2,4-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61129231
N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-3-carboxamide
CID 61131275
2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyridine-4-carboxamide
CID 106753989
N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyridine-3-carboxamide
CID 61131144
1-(4-fluorophenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
CID 61132441
3-bromo-2-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 107953731
1,5-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrazole-3-carboxamide
CID 114219136
2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)propanamide
CID 61131141
4-bromo-1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrrole-2-carboxamide
CID 61131380
2,4-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61129233
2-chloro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-3-carboxamide
CID 106689384

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide?
The IUPAC name of 3,5-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide (CID 61131914) is 3,5-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3,5-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide?
The canonical SMILES for 3,5-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide is Cn1cc(S(N)(=O)=O)c(NC(=O)c2cc(F)cc(F)c2)n1.
What is the InChIKey of 3,5-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide?
The InChIKey is CBCORDPKGLMXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O3S/c1-17-5-9(21(14,19)20)10(16-17)15-11(18)6-2-7(12)4-8(13)3-6/h2-5H,1H3,(H2,14,19,20)(H,15,16,18).
What are the key properties of 3,5-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide?
3,5-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide has a molecular weight of 316.29 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide is sourced from PubChem (CID 61131914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).