N-cyclohexyl-1-methyl-N-thiophen-3-yl-3-(trifluoromethyl)pyrazole-4-sulfonamide

C15H18F3N3O2S2 — CID 167839121

IUPACN-cyclohexyl-1-methyl-N-thiophen-3-yl-3-(trifluoromethyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(c2ccsc2)C2CCCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C15H18F3N3O2S2/c1-20-9-13(14(19-20)15(16,17)18)25(22,23)21(12-7-8-24-10-12)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3
InChIKeyMNDJYBKBGYOWKV-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.03
Rot. Bonds4

About N-cyclohexyl-1-methyl-N-thiophen-3-yl-3-(trifluoromethyl)pyrazole-4-sulfonamide

N-cyclohexyl-1-methyl-N-thiophen-3-yl-3-(trifluoromethyl)pyrazole-4-sulfonamide (PubChem CID 167839121) has the molecular formula C15H18F3N3O2S2 and a molecular weight of 393.46 g/mol. Its IUPAC name is N-cyclohexyl-1-methyl-N-thiophen-3-yl-3-(trifluoromethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-1-methyl-N-thiophen-3-yl-3-(trifluoromethyl)pyrazole-4-sulfonamide
PubChem CID167839121
Molecular FormulaC15H18F3N3O2S2
Molecular Weight393.46 g/mol
Exact Mass393.08
IUPAC NameN-cyclohexyl-1-methyl-N-thiophen-3-yl-3-(trifluoromethyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(c2ccsc2)C2CCCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C15H18F3N3O2S2/c1-20-9-13(14(19-20)15(16,17)18)25(22,23)21(12-7-8-24-10-12)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3
InChIKeyMNDJYBKBGYOWKV-UHFFFAOYSA-N
XLogP4.03
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methyl-N-thiophen-3-yl-3-(trifluoromethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-cyclohexyl-1-methyl-N-thiophen-3-yl-3-(trifluoromethyl)pyrazole-4-sulfonamide (CID 167839121) is N-cyclohexyl-1-methyl-N-thiophen-3-yl-3-(trifluoromethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclohexyl-1-methyl-N-thiophen-3-yl-3-(trifluoromethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-cyclohexyl-1-methyl-N-thiophen-3-yl-3-(trifluoromethyl)pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)N(c2ccsc2)C2CCCCC2)c(C(F)(F)F)n1.
What is the InChIKey of N-cyclohexyl-1-methyl-N-thiophen-3-yl-3-(trifluoromethyl)pyrazole-4-sulfonamide?
The InChIKey is MNDJYBKBGYOWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2S2/c1-20-9-13(14(19-20)15(16,17)18)25(22,23)21(12-7-8-24-10-12)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-1-methyl-N-thiophen-3-yl-3-(trifluoromethyl)pyrazole-4-sulfonamide?
N-cyclohexyl-1-methyl-N-thiophen-3-yl-3-(trifluoromethyl)pyrazole-4-sulfonamide has a molecular weight of 393.46 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-methyl-N-thiophen-3-yl-3-(trifluoromethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 167839121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).