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

C11H16F3N3O2S — CID 47177819

IUPAC1-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCC(C(F)(F)F)CC2)cn1
InChIInChI=1S/C11H16F3N3O2S/c1-17-7-10(6-15-17)20(18,19)16-9-4-2-8(3-5-9)11(12,13)14/h6-9,16H,2-5H2,1H3
InChIKeyNLNFOCFCUSGQLN-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.82
Rot. Bonds3

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

1-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide (PubChem CID 47177819) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide
PubChem CID47177819
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC Name1-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCC(C(F)(F)F)CC2)cn1
InChIInChI=1S/C11H16F3N3O2S/c1-17-7-10(6-15-17)20(18,19)16-9-4-2-8(3-5-9)11(12,13)14/h6-9,16H,2-5H2,1H3
InChIKeyNLNFOCFCUSGQLN-UHFFFAOYSA-N
XLogP1.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide (CID 47177819) is 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC2CCC(C(F)(F)F)CC2)cn1.
What is the InChIKey of 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide?
The InChIKey is NLNFOCFCUSGQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-17-7-10(6-15-17)20(18,19)16-9-4-2-8(3-5-9)11(12,13)14/h6-9,16H,2-5H2,1H3.
What are the key properties of 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide?
1-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide has a molecular weight of 311.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 47177819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).