N-cyclohexyl-N-thiophen-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

C15H18F3N3O2S2 — CID 139010482

IUPACN-cyclohexyl-N-thiophen-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESO=S(=O)(c1cnn(CC(F)(F)F)c1)N(c1ccsc1)C1CCCCC1
InChIInChI=1S/C15H18F3N3O2S2/c16-15(17,18)11-20-9-14(8-19-20)25(22,23)21(13-6-7-24-10-13)12-4-2-1-3-5-12/h6-10,12H,1-5,11H2
InChIKeyGWWUSTCCORXQOT-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.03
Rot. Bonds5

About N-cyclohexyl-N-thiophen-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

N-cyclohexyl-N-thiophen-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (PubChem CID 139010482) has the molecular formula C15H18F3N3O2S2 and a molecular weight of 393.46 g/mol. Its IUPAC name is N-cyclohexyl-N-thiophen-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-thiophen-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
PubChem CID139010482
Molecular FormulaC15H18F3N3O2S2
Molecular Weight393.46 g/mol
Exact Mass393.08
IUPAC NameN-cyclohexyl-N-thiophen-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESO=S(=O)(c1cnn(CC(F)(F)F)c1)N(c1ccsc1)C1CCCCC1
InChIInChI=1S/C15H18F3N3O2S2/c16-15(17,18)11-20-9-14(8-19-20)25(22,23)21(13-6-7-24-10-13)12-4-2-1-3-5-12/h6-10,12H,1-5,11H2
InChIKeyGWWUSTCCORXQOT-UHFFFAOYSA-N
XLogP4.03
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
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-N-thiophen-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-cyclohexyl-N-thiophen-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (CID 139010482) is N-cyclohexyl-N-thiophen-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-thiophen-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-thiophen-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is O=S(=O)(c1cnn(CC(F)(F)F)c1)N(c1ccsc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-thiophen-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is GWWUSTCCORXQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2S2/c16-15(17,18)11-20-9-14(8-19-20)25(22,23)21(13-6-7-24-10-13)12-4-2-1-3-5-12/h6-10,12H,1-5,11H2.
What are the key properties of N-cyclohexyl-N-thiophen-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
N-cyclohexyl-N-thiophen-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 393.46 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-thiophen-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 139010482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).