1-(2,2-difluorocyclohexyl)-N-[2-(1-ethyltriazol-4-yl)ethyl]methanesulfonamide

C13H22F2N4O2S — CID 166282022

IUPAC1-(2,2-difluorocyclohexyl)-N-[2-(1-ethyltriazol-4-yl)ethyl]methanesulfonamide
SMILESCCn1cc(CCNS(=O)(=O)CC2CCCCC2(F)F)nn1
InChIInChI=1S/C13H22F2N4O2S/c1-2-19-9-12(17-18-19)6-8-16-22(20,21)10-11-5-3-4-7-13(11,14)15/h9,11,16H,2-8,10H2,1H3
InChIKeyBRRNFNZIPVDNGB-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.59
Rot. Bonds7

About 1-(2,2-difluorocyclohexyl)-N-[2-(1-ethyltriazol-4-yl)ethyl]methanesulfonamide

1-(2,2-difluorocyclohexyl)-N-[2-(1-ethyltriazol-4-yl)ethyl]methanesulfonamide (PubChem CID 166282022) has the molecular formula C13H22F2N4O2S and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-(2,2-difluorocyclohexyl)-N-[2-(1-ethyltriazol-4-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,2-difluorocyclohexyl)-N-[2-(1-ethyltriazol-4-yl)ethyl]methanesulfonamide
PubChem CID166282022
Molecular FormulaC13H22F2N4O2S
Molecular Weight336.41 g/mol
Exact Mass336.14
IUPAC Name1-(2,2-difluorocyclohexyl)-N-[2-(1-ethyltriazol-4-yl)ethyl]methanesulfonamide
SMILESCCn1cc(CCNS(=O)(=O)CC2CCCCC2(F)F)nn1
InChIInChI=1S/C13H22F2N4O2S/c1-2-19-9-12(17-18-19)6-8-16-22(20,21)10-11-5-3-4-7-13(11,14)15/h9,11,16H,2-8,10H2,1H3
InChIKeyBRRNFNZIPVDNGB-UHFFFAOYSA-N
XLogP1.59
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorocyclohexyl)-N-[2-(1-ethyltriazol-4-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2,2-difluorocyclohexyl)-N-[2-(1-ethyltriazol-4-yl)ethyl]methanesulfonamide (CID 166282022) is 1-(2,2-difluorocyclohexyl)-N-[2-(1-ethyltriazol-4-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2,2-difluorocyclohexyl)-N-[2-(1-ethyltriazol-4-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2,2-difluorocyclohexyl)-N-[2-(1-ethyltriazol-4-yl)ethyl]methanesulfonamide is CCn1cc(CCNS(=O)(=O)CC2CCCCC2(F)F)nn1.
What is the InChIKey of 1-(2,2-difluorocyclohexyl)-N-[2-(1-ethyltriazol-4-yl)ethyl]methanesulfonamide?
The InChIKey is BRRNFNZIPVDNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N4O2S/c1-2-19-9-12(17-18-19)6-8-16-22(20,21)10-11-5-3-4-7-13(11,14)15/h9,11,16H,2-8,10H2,1H3.
What are the key properties of 1-(2,2-difluorocyclohexyl)-N-[2-(1-ethyltriazol-4-yl)ethyl]methanesulfonamide?
1-(2,2-difluorocyclohexyl)-N-[2-(1-ethyltriazol-4-yl)ethyl]methanesulfonamide has a molecular weight of 336.41 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorocyclohexyl)-N-[2-(1-ethyltriazol-4-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 166282022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).