N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanesulfonamide

C12H18F3N3O2S — CID 71808061

IUPACN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCCn1ccc(C(F)(F)F)n1)C1CCCCC1
InChIInChI=1S/C12H18F3N3O2S/c13-12(14,15)11-6-8-18(17-11)9-7-16-21(19,20)10-4-2-1-3-5-10/h6,8,10,16H,1-5,7,9H2
InChIKeyMVGJEEBCDFVKBQ-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.15
Rot. Bonds5

About N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanesulfonamide

N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanesulfonamide (PubChem CID 71808061) has the molecular formula C12H18F3N3O2S and a molecular weight of 325.36 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanesulfonamide
PubChem CID71808061
Molecular FormulaC12H18F3N3O2S
Molecular Weight325.36 g/mol
Exact Mass325.11
IUPAC NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCCn1ccc(C(F)(F)F)n1)C1CCCCC1
InChIInChI=1S/C12H18F3N3O2S/c13-12(14,15)11-6-8-18(17-11)9-7-16-21(19,20)10-4-2-1-3-5-10/h6,8,10,16H,1-5,7,9H2
InChIKeyMVGJEEBCDFVKBQ-UHFFFAOYSA-N
XLogP2.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanesulfonamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanesulfonamide (CID 71808061) is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanesulfonamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanesulfonamide is O=S(=O)(NCCn1ccc(C(F)(F)F)n1)C1CCCCC1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanesulfonamide?
The InChIKey is MVGJEEBCDFVKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2S/c13-12(14,15)11-6-8-18(17-11)9-7-16-21(19,20)10-4-2-1-3-5-10/h6,8,10,16H,1-5,7,9H2.
What are the key properties of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanesulfonamide?
N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanesulfonamide has a molecular weight of 325.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanesulfonamide is sourced from PubChem (CID 71808061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).