5-amino-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide

C10H11FN4O2S — CID 54922987

IUPAC5-amino-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C10H11FN4O2S/c1-6-4-7(11)2-3-8(6)15-18(16,17)9-5-13-14-10(9)12/h2-5,15H,1H3,(H3,12,13,14)
InChIKeyCBYRRNVQHNVZJK-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.24
Rot. Bonds3

About 5-amino-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54922987) has the molecular formula C10H11FN4O2S and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-amino-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID54922987
Molecular FormulaC10H11FN4O2S
Molecular Weight270.29 g/mol
Exact Mass270.06
IUPAC Name5-amino-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C10H11FN4O2S/c1-6-4-7(11)2-3-8(6)15-18(16,17)9-5-13-14-10(9)12/h2-5,15H,1H3,(H3,12,13,14)
InChIKeyCBYRRNVQHNVZJK-UHFFFAOYSA-N
XLogP1.24
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide (CID 54922987) is 5-amino-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide is Cc1cc(F)ccc1NS(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is CBYRRNVQHNVZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S/c1-6-4-7(11)2-3-8(6)15-18(16,17)9-5-13-14-10(9)12/h2-5,15H,1H3,(H3,12,13,14).
What are the key properties of 5-amino-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 270.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54922987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).