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

C16H21FN4O2S — CID 131890346

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1F)NCc1nncn1C1CCCCC1
InChIInChI=1S/C16H21FN4O2S/c17-15-9-5-4-6-13(15)11-24(22,23)19-10-16-20-18-12-21(16)14-7-2-1-3-8-14/h4-6,9,12,14,19H,1-3,7-8,10-11H2
InChIKeyRVYNARCIAJHGPT-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.54
Rot. Bonds6

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

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide (PubChem CID 131890346) has the molecular formula C16H21FN4O2S and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide
PubChem CID131890346
Molecular FormulaC16H21FN4O2S
Molecular Weight352.44 g/mol
Exact Mass352.14
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1F)NCc1nncn1C1CCCCC1
InChIInChI=1S/C16H21FN4O2S/c17-15-9-5-4-6-13(15)11-24(22,23)19-10-16-20-18-12-21(16)14-7-2-1-3-8-14/h4-6,9,12,14,19H,1-3,7-8,10-11H2
InChIKeyRVYNARCIAJHGPT-UHFFFAOYSA-N
XLogP2.54
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide (CID 131890346) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1ccccc1F)NCc1nncn1C1CCCCC1.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide?
The InChIKey is RVYNARCIAJHGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2S/c17-15-9-5-4-6-13(15)11-24(22,23)19-10-16-20-18-12-21(16)14-7-2-1-3-8-14/h4-6,9,12,14,19H,1-3,7-8,10-11H2.
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide has a molecular weight of 352.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 131890346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).