N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide

C11H11FN4O3S — CID 61129598

IUPACN-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H11FN4O3S/c1-16-10(4-5-14-16)11(17)15-9-3-2-7(6-8(9)12)20(13,18)19/h2-6H,1H3,(H,15,17)(H2,13,18,19)
InChIKeyDMVPJVOENWVJHP-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.46
Rot. Bonds3

About N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide

N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide (PubChem CID 61129598) has the molecular formula C11H11FN4O3S and a molecular weight of 298.30 g/mol. Its IUPAC name is N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
PubChem CID61129598
Molecular FormulaC11H11FN4O3S
Molecular Weight298.30 g/mol
Exact Mass298.05
IUPAC NameN-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H11FN4O3S/c1-16-10(4-5-14-16)11(17)15-9-3-2-7(6-8(9)12)20(13,18)19/h2-6H,1H3,(H,15,17)(H2,13,18,19)
InChIKeyDMVPJVOENWVJHP-UHFFFAOYSA-N
XLogP0.46
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129736
N-(2-chloro-5-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61131082
N-(2-fluoro-4-sulfamoylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 43134041
3,5-difluoro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 62921141
3-chloro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 62920806
2,4-difluoro-5-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 60829589
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide
CID 19475773
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 60802778
N-(2-fluoro-4-sulfamoylphenyl)-3-methylpyridine-2-carboxamide
CID 62339483
ethyl 4-fluoro-2-methyl-5-[(2-methylpyrazole-3-carbonyl)amino]benzoate
CID 154756470
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 60802676
N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide
CID 47083946

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide (CID 61129598) is N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is DMVPJVOENWVJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O3S/c1-16-10(4-5-14-16)11(17)15-9-3-2-7(6-8(9)12)20(13,18)19/h2-6H,1H3,(H,15,17)(H2,13,18,19).
What are the key properties of N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide?
N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 61129598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).