N-(5-fluoro-2-sulfamoylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide

C10H11FN4O4S2 — CID 61132660

IUPACN-(5-fluoro-2-sulfamoylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1cc(F)ccc1S(N)(=O)=O
InChIInChI=1S/C10H11FN4O4S2/c1-6-10(5-13-14-6)21(18,19)15-8-4-7(11)2-3-9(8)20(12,16)17/h2-5,15H,1H3,(H,13,14)(H2,12,16,17)
InChIKeyOWJLKBAYLHTYAQ-UHFFFAOYSA-N
MW334.35 g/mol
LogP0.31
Rot. Bonds4

About N-(5-fluoro-2-sulfamoylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(5-fluoro-2-sulfamoylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 61132660) has the molecular formula C10H11FN4O4S2 and a molecular weight of 334.35 g/mol. Its IUPAC name is N-(5-fluoro-2-sulfamoylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-sulfamoylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID61132660
Molecular FormulaC10H11FN4O4S2
Molecular Weight334.35 g/mol
Exact Mass334.02
IUPAC NameN-(5-fluoro-2-sulfamoylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1cc(F)ccc1S(N)(=O)=O
InChIInChI=1S/C10H11FN4O4S2/c1-6-10(5-13-14-6)21(18,19)15-8-4-7(11)2-3-9(8)20(12,16)17/h2-5,15H,1H3,(H,13,14)(H2,12,16,17)
InChIKeyOWJLKBAYLHTYAQ-UHFFFAOYSA-N
XLogP0.31
TPSA135.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-sulfamoylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(5-fluoro-2-sulfamoylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 61132660) is N-(5-fluoro-2-sulfamoylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-fluoro-2-sulfamoylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(5-fluoro-2-sulfamoylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)Nc1cc(F)ccc1S(N)(=O)=O.
What is the InChIKey of N-(5-fluoro-2-sulfamoylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is OWJLKBAYLHTYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O4S2/c1-6-10(5-13-14-6)21(18,19)15-8-4-7(11)2-3-9(8)20(12,16)17/h2-5,15H,1H3,(H,13,14)(H2,12,16,17).
What are the key properties of N-(5-fluoro-2-sulfamoylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(5-fluoro-2-sulfamoylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 334.35 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-sulfamoylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61132660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).