N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide, O-methyl-

C16H19NO3S — CID 13793578

IUPACN-(2-methoxy-2-phenylethyl)-4-methylbenzenesulfonamide
SMILESCC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CC=C2)OC
InChIInChI=1S/C16H19NO3S/c1-13-8-10-15(11-9-13)21(18,19)17-12-16(20-2)14-6-4-3-5-7-14/h3-11,16-17H,12H2,1-2H3
InChIKeyZUVKONYUKGMKQC-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.60
Rot. Bonds6

About N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide, O-methyl-

N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide, O-methyl- (PubChem CID 13793578) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(2-methoxy-2-phenylethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide, O-methyl-
PubChem CID13793578
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-(2-methoxy-2-phenylethyl)-4-methylbenzenesulfonamide
SMILESCC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CC=C2)OC
InChIInChI=1S/C16H19NO3S/c1-13-8-10-15(11-9-13)21(18,19)17-12-16(20-2)14-6-4-3-5-7-14/h3-11,16-17H,12H2,1-2H3
InChIKeyZUVKONYUKGMKQC-UHFFFAOYSA-N
XLogP2.60
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity390

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-P-Tosylglycine benzyl ester
CID 273360
N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide
CID 2812775
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenesulfonamide
CID 2836278
4-Chloro-N-(2-methoxy-2-phenyl-ethyl)-benzenesulfonamide
CID 2831758
2,4-difluoro-N-(4-(2-phenylmorpholino)butyl)benzenesulfonamide
CID 16892888
O-ethyl 4-(ethylsulfamoyl)benzenecarbothioate
CID 312248
O-ethyl 4-(propylsulfamoyl)benzenecarbothioate
CID 312249
N-[2-(benzyloxy)ethyl]benzenesulfonamide
CID 555308
2-(4-Fluorophenyl)-4-tosylmorpholine
CID 42949939
(2R,3S)-2-(4-fluorophenyl)-3,6-dimethyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine
CID 60154323
4-methyl-N-[[(2S,3S)-2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]benzenesulfonamide
CID 122230317
4-[(4-Methylphenyl)sulfonyl]-2,6-diphenylmorpholine
CID 1216322

Frequently Asked Questions

What is the IUPAC name of N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide, O-methyl-?
The IUPAC name of N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide, O-methyl- (CID 13793578) is N-(2-methoxy-2-phenylethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide, O-methyl-?
The canonical SMILES for N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide, O-methyl- is CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CC=C2)OC.
What is the InChIKey of N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide, O-methyl-?
The InChIKey is ZUVKONYUKGMKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-13-8-10-15(11-9-13)21(18,19)17-12-16(20-2)14-6-4-3-5-7-14/h3-11,16-17H,12H2,1-2H3.
What are the key properties of N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide, O-methyl-?
N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide, O-methyl- has a molecular weight of 305.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide, O-methyl- is sourced from PubChem (CID 13793578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).