N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)-N-methylmethanesulfonamide

C15H19FN4O2S — CID 71978423

IUPACN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)-N-methylmethanesulfonamide
SMILESCN(Cc1nnc(C2CC2)n1C)S(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C15H19FN4O2S/c1-19(9-14-17-18-15(20(14)2)11-7-8-11)23(21,22)10-12-5-3-4-6-13(12)16/h3-6,11H,7-10H2,1-2H3
InChIKeyODBWURORSSAESI-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.79
Rot. Bonds6

About N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)-N-methylmethanesulfonamide

N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)-N-methylmethanesulfonamide (PubChem CID 71978423) has the molecular formula C15H19FN4O2S and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)-N-methylmethanesulfonamide
PubChem CID71978423
Molecular FormulaC15H19FN4O2S
Molecular Weight338.41 g/mol
Exact Mass338.12
IUPAC NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)-N-methylmethanesulfonamide
SMILESCN(Cc1nnc(C2CC2)n1C)S(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C15H19FN4O2S/c1-19(9-14-17-18-15(20(14)2)11-7-8-11)23(21,22)10-12-5-3-4-6-13(12)16/h3-6,11H,7-10H2,1-2H3
InChIKeyODBWURORSSAESI-UHFFFAOYSA-N
XLogP1.79
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)-N-methylmethanesulfonamide (CID 71978423) is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)-N-methylmethanesulfonamide is CN(Cc1nnc(C2CC2)n1C)S(=O)(=O)Cc1ccccc1F.
What is the InChIKey of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)-N-methylmethanesulfonamide?
The InChIKey is ODBWURORSSAESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2S/c1-19(9-14-17-18-15(20(14)2)11-7-8-11)23(21,22)10-12-5-3-4-6-13(12)16/h3-6,11H,7-10H2,1-2H3.
What are the key properties of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)-N-methylmethanesulfonamide?
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)-N-methylmethanesulfonamide has a molecular weight of 338.41 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 71978423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).