5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide

C11H16F3N3O2S — CID 61273846

IUPAC5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3N3O2S/c1-7-10(6-15-16-7)20(18,19)17-9-4-2-8(3-5-9)11(12,13)14/h6,8-9,17H,2-5H2,1H3,(H,15,16)
InChIKeyKOEPOHNKJSMBFF-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.12
Rot. Bonds3

About 5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide

5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide (PubChem CID 61273846) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is 5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
PubChem CID61273846
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC Name5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3N3O2S/c1-7-10(6-15-16-7)20(18,19)17-9-4-2-8(3-5-9)11(12,13)14/h6,8-9,17H,2-5H2,1H3,(H,15,16)
InChIKeyKOEPOHNKJSMBFF-UHFFFAOYSA-N
XLogP2.12
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide (CID 61273846) is 5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is KOEPOHNKJSMBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-7-10(6-15-16-7)20(18,19)17-9-4-2-8(3-5-9)11(12,13)14/h6,8-9,17H,2-5H2,1H3,(H,15,16).
What are the key properties of 5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide?
5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 311.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61273846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).