N-[4-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide

C11H10F3N3O2S — CID 47389514

IUPACN-[4-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1C(F)(F)F
InChIInChI=1S/C11H10F3N3O2S/c1-7-2-3-8(4-10(7)11(12,13)14)17-20(18,19)9-5-15-16-6-9/h2-6,17H,1H3,(H,15,16)
InChIKeyLJJSMKJNRHHTRO-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.54
Rot. Bonds3

About N-[4-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide

N-[4-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 47389514) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is N-[4-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID47389514
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC NameN-[4-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1C(F)(F)F
InChIInChI=1S/C11H10F3N3O2S/c1-7-2-3-8(4-10(7)11(12,13)14)17-20(18,19)9-5-15-16-6-9/h2-6,17H,1H3,(H,15,16)
InChIKeyLJJSMKJNRHHTRO-UHFFFAOYSA-N
XLogP2.54
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide (CID 47389514) is N-[4-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[4-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1C(F)(F)F.
What is the InChIKey of N-[4-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is LJJSMKJNRHHTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c1-7-2-3-8(4-10(7)11(12,13)14)17-20(18,19)9-5-15-16-6-9/h2-6,17H,1H3,(H,15,16).
What are the key properties of N-[4-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
N-[4-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 305.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47389514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).