N-[1-(benzotriazol-2-yl)-2-oxo-2-phenylethyl]-N-methylmethanesulfonamide

C16H16N4O3S — CID 162412739

IUPACN-[1-(benzotriazol-2-yl)-2-oxo-2-phenylethyl]-N-methylmethanesulfonamide
SMILESCN(C(C(=O)c1ccccc1)n1nc2ccccc2n1)S(C)(=O)=O
InChIInChI=1S/C16H16N4O3S/c1-19(24(2,22)23)16(15(21)12-8-4-3-5-9-12)20-17-13-10-6-7-11-14(13)18-20/h3-11,16H,1-2H3
InChIKeyGFDJTUYLRIBGAC-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.70
Rot. Bonds5

About N-[1-(benzotriazol-2-yl)-2-oxo-2-phenylethyl]-N-methylmethanesulfonamide

N-[1-(benzotriazol-2-yl)-2-oxo-2-phenylethyl]-N-methylmethanesulfonamide (PubChem CID 162412739) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-[1-(benzotriazol-2-yl)-2-oxo-2-phenylethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(benzotriazol-2-yl)-2-oxo-2-phenylethyl]-N-methylmethanesulfonamide
PubChem CID162412739
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN-[1-(benzotriazol-2-yl)-2-oxo-2-phenylethyl]-N-methylmethanesulfonamide
SMILESCN(C(C(=O)c1ccccc1)n1nc2ccccc2n1)S(C)(=O)=O
InChIInChI=1S/C16H16N4O3S/c1-19(24(2,22)23)16(15(21)12-8-4-3-5-9-12)20-17-13-10-6-7-11-14(13)18-20/h3-11,16H,1-2H3
InChIKeyGFDJTUYLRIBGAC-UHFFFAOYSA-N
XLogP1.70
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[1-(benzotriazol-2-yl)-2-oxo-2-phenylethyl]-N-methylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2H-Benzotriazol-2-yl)-1-phenylethanone
CID 4638249
2-(Benzotriazol-2-yl)-1-(3-fluorophenyl)ethanone
CID 178069270
2-(Benzotriazol-2-yl)-1-(4-fluorophenyl)ethanone
CID 178069282
2-(Benzotriazol-2-yl)-1-(2-fluorophenyl)ethanone
CID 178069292
N-[1-(benzotriazol-1-yl)-2-oxo-2-phenylethyl]-N-methylmethanesulfonamide
CID 162412738
N-[1-(benzotriazol-1-yl)-2-cyclohexyl-2-oxoethyl]-N-methylmethanesulfonamide
CID 162412740
Methane;2-methylbenzotriazole;1-phenylethanone;propan-2-one
CID 160777129
2-(5-Methylbenzotriazol-2-yl)-1-phenylethanone
CID 102206431
2-(benzotriazol-2-yl)-N-methyl-N-methylsulfonyl-2-phenylacetamide
CID 177454405

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzotriazol-2-yl)-2-oxo-2-phenylethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-(benzotriazol-2-yl)-2-oxo-2-phenylethyl]-N-methylmethanesulfonamide (CID 162412739) is N-[1-(benzotriazol-2-yl)-2-oxo-2-phenylethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-(benzotriazol-2-yl)-2-oxo-2-phenylethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-(benzotriazol-2-yl)-2-oxo-2-phenylethyl]-N-methylmethanesulfonamide is CN(C(C(=O)c1ccccc1)n1nc2ccccc2n1)S(C)(=O)=O.
What is the InChIKey of N-[1-(benzotriazol-2-yl)-2-oxo-2-phenylethyl]-N-methylmethanesulfonamide?
The InChIKey is GFDJTUYLRIBGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-19(24(2,22)23)16(15(21)12-8-4-3-5-9-12)20-17-13-10-6-7-11-14(13)18-20/h3-11,16H,1-2H3.
What are the key properties of N-[1-(benzotriazol-2-yl)-2-oxo-2-phenylethyl]-N-methylmethanesulfonamide?
N-[1-(benzotriazol-2-yl)-2-oxo-2-phenylethyl]-N-methylmethanesulfonamide has a molecular weight of 344.40 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzotriazol-2-yl)-2-oxo-2-phenylethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 162412739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).