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

C11H14N4O2S — CID 56712267

IUPACN-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide
SMILESCN(Cc1nncn1-c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C11H14N4O2S/c1-14(18(2,16)17)8-11-13-12-9-15(11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyUOACPJWWPUTMSC-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.66
Rot. Bonds4

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

N-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide (PubChem CID 56712267) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide
PubChem CID56712267
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide
SMILESCN(Cc1nncn1-c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C11H14N4O2S/c1-14(18(2,16)17)8-11-13-12-9-15(11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyUOACPJWWPUTMSC-UHFFFAOYSA-N
XLogP0.66
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-phenyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
CID 71779094
N-methyl-N-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]sulfamoyl]-1-phenylmethanamine
CID 131891219
3-(2-methylbutyl)-4-phenyl-1,2,4-triazole
CID 114877681
4-phenyl-3-(propoxymethyl)-1,2,4-triazole
CID 107944041
2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 81071078
N-[3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]methanesulfonamide
CID 47772818
1-(4-phenyl-1,2,4-triazol-3-yl)ethanone
CID 83383500
5-(4-phenyl-1,2,4-triazol-3-yl)pentanoic acid
CID 62711798
(2S)-N-benzyl-N-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8787138
2,3-dimethyl-2-[(4-phenyl-1,2,4-triazol-3-yl)methyl]butanoic acid
CID 62711628
3-(2-cyclohexylethyl)-4-phenyl-1,2,4-triazole
CID 115393404
3-[(4-methoxyphenyl)methyl]-4-phenyl-1,2,4-triazole
CID 115393487

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide (CID 56712267) is N-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide is CN(Cc1nncn1-c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
The InChIKey is UOACPJWWPUTMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-14(18(2,16)17)8-11-13-12-9-15(11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of N-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
N-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide has a molecular weight of 266.33 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 56712267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).