N-[(5-methyl-2-phenyltriazol-4-yl)methyl]methanesulfonamide

C11H14N4O2S — CID 2738927

IUPACN-[(5-methyl-2-phenyltriazol-4-yl)methyl]methanesulfonamide
SMILESCc1nn(-c2ccccc2)nc1CNS(C)(=O)=O
InChIInChI=1S/C11H14N4O2S/c1-9-11(8-12-18(2,16)17)14-15(13-9)10-6-4-3-5-7-10/h3-7,12H,8H2,1-2H3
InChIKeyAEYGXVZSAVXNTI-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.62
Rot. Bonds4

About N-[(5-methyl-2-phenyltriazol-4-yl)methyl]methanesulfonamide

N-[(5-methyl-2-phenyltriazol-4-yl)methyl]methanesulfonamide (PubChem CID 2738927) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-[(5-methyl-2-phenyltriazol-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5-methyl-2-phenyltriazol-4-yl)methyl]methanesulfonamide
PubChem CID2738927
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-[(5-methyl-2-phenyltriazol-4-yl)methyl]methanesulfonamide
SMILESCc1nn(-c2ccccc2)nc1CNS(C)(=O)=O
InChIInChI=1S/C11H14N4O2S/c1-9-11(8-12-18(2,16)17)14-15(13-9)10-6-4-3-5-7-10/h3-7,12H,8H2,1-2H3
InChIKeyAEYGXVZSAVXNTI-UHFFFAOYSA-N
XLogP0.62
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-Methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methanamine
CID 2776450
(5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methanamine hydrochloride
CID 133054194
1-(5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)ethan-1-amine hydrochloride
CID 138006951
4-(Isocyanomethyl)-5-methyl-2-phenyltriazole
CID 138967279
1-(5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)ethan-1-amine
CID 138006952
3,3-difluoro-N-[(2-phenyltriazol-4-yl)methyl]cyclobutane-1-sulfonamide
CID 154870421
N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1-methylsulfonylmethanesulfonamide
CID 2738938
2-Phenyl-4-(azidomethyl)-5-methyl-1,2,3-triazole
CID 598971
2-Phenyl-4-(thiocyanatomethyl)-5-methyl-1,2,3-triazole
CID 598972
2-Phenyl-4-(methylsulfonylmethyl)-5-methyl-1,2,3-triazole
CID 598973
1,2,3-Triazole, 2-phenyl-4-[(2-aminoethyl)thiomethyl]-5-methyl-
CID 599163
N-methyl-1-(5-methyl-2-phenyltriazol-4-yl)methanamine
CID 57543940

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-phenyltriazol-4-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(5-methyl-2-phenyltriazol-4-yl)methyl]methanesulfonamide (CID 2738927) is N-[(5-methyl-2-phenyltriazol-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(5-methyl-2-phenyltriazol-4-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(5-methyl-2-phenyltriazol-4-yl)methyl]methanesulfonamide is Cc1nn(-c2ccccc2)nc1CNS(C)(=O)=O.
What is the InChIKey of N-[(5-methyl-2-phenyltriazol-4-yl)methyl]methanesulfonamide?
The InChIKey is AEYGXVZSAVXNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-9-11(8-12-18(2,16)17)14-15(13-9)10-6-4-3-5-7-10/h3-7,12H,8H2,1-2H3.
What are the key properties of N-[(5-methyl-2-phenyltriazol-4-yl)methyl]methanesulfonamide?
N-[(5-methyl-2-phenyltriazol-4-yl)methyl]methanesulfonamide has a molecular weight of 266.33 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-phenyltriazol-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 2738927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).