N-[[2-cyclohexyl-5-(3,4-difluorophenyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide

C16H20F2N4O2S — CID 72904059

IUPACN-[[2-cyclohexyl-5-(3,4-difluorophenyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1nc(-c2ccc(F)c(F)c2)nn1C1CCCCC1
InChIInChI=1S/C16H20F2N4O2S/c1-25(23,24)19-10-15-20-16(11-7-8-13(17)14(18)9-11)21-22(15)12-5-3-2-4-6-12/h7-9,12,19H,2-6,10H2,1H3
InChIKeyABSUNPJRWCTGMZ-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.78
Rot. Bonds5

About N-[[2-cyclohexyl-5-(3,4-difluorophenyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide

N-[[2-cyclohexyl-5-(3,4-difluorophenyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide (PubChem CID 72904059) has the molecular formula C16H20F2N4O2S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[[2-cyclohexyl-5-(3,4-difluorophenyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[2-cyclohexyl-5-(3,4-difluorophenyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide
PubChem CID72904059
Molecular FormulaC16H20F2N4O2S
Molecular Weight370.43 g/mol
Exact Mass370.13
IUPAC NameN-[[2-cyclohexyl-5-(3,4-difluorophenyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1nc(-c2ccc(F)c(F)c2)nn1C1CCCCC1
InChIInChI=1S/C16H20F2N4O2S/c1-25(23,24)19-10-15-20-16(11-7-8-13(17)14(18)9-11)21-22(15)12-5-3-2-4-6-12/h7-9,12,19H,2-6,10H2,1H3
InChIKeyABSUNPJRWCTGMZ-UHFFFAOYSA-N
XLogP2.78
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclohexyl-5-(3,4-difluorophenyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[2-cyclohexyl-5-(3,4-difluorophenyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide (CID 72904059) is N-[[2-cyclohexyl-5-(3,4-difluorophenyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[2-cyclohexyl-5-(3,4-difluorophenyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[2-cyclohexyl-5-(3,4-difluorophenyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1nc(-c2ccc(F)c(F)c2)nn1C1CCCCC1.
What is the InChIKey of N-[[2-cyclohexyl-5-(3,4-difluorophenyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide?
The InChIKey is ABSUNPJRWCTGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O2S/c1-25(23,24)19-10-15-20-16(11-7-8-13(17)14(18)9-11)21-22(15)12-5-3-2-4-6-12/h7-9,12,19H,2-6,10H2,1H3.
What are the key properties of N-[[2-cyclohexyl-5-(3,4-difluorophenyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide?
N-[[2-cyclohexyl-5-(3,4-difluorophenyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide has a molecular weight of 370.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-cyclohexyl-5-(3,4-difluorophenyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 72904059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).