N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide

C16H19NO3S — CID 110776887

IUPACN-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide
SMILESCOc1cc(C)c(NS(=O)(=O)Cc2ccccc2)cc1C
InChIInChI=1S/C16H19NO3S/c1-12-10-16(20-3)13(2)9-15(12)17-21(18,19)11-14-7-5-4-6-8-14/h4-10,17H,11H2,1-3H3
InChIKeyQYHJCNRYEOXRCS-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.25
Rot. Bonds5

About N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide

N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide (PubChem CID 110776887) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide
PubChem CID110776887
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide
SMILESCOc1cc(C)c(NS(=O)(=O)Cc2ccccc2)cc1C
InChIInChI=1S/C16H19NO3S/c1-12-10-16(20-3)13(2)9-15(12)17-21(18,19)11-14-7-5-4-6-8-14/h4-10,17H,11H2,1-3H3
InChIKeyQYHJCNRYEOXRCS-UHFFFAOYSA-N
XLogP3.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide 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

N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide
CID 8516229
N-(5-chloro-4-methoxy-2-methylphenyl)-1-phenylmethanesulfonamide
CID 110777323
N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide
CID 110776446
N-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide
CID 110777825
N-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide
CID 110777258
N-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 107592640
N-(5-chloro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 788792
1-(4-methoxyphenyl)-N-(2-methylphenyl)methanesulfonamide
CID 127510090
N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide
CID 6468600
N-(5-ethyl-2-fluoro-4-methylphenyl)-1-phenylmethanesulfonamide
CID 170149320
2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide
CID 110776899
N-[2-(difluoromethoxy)-5-methylphenyl]-1-phenylmethanesulfonamide
CID 19684072

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide (CID 110776887) is N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide is COc1cc(C)c(NS(=O)(=O)Cc2ccccc2)cc1C.
What is the InChIKey of N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide?
The InChIKey is QYHJCNRYEOXRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12-10-16(20-3)13(2)9-15(12)17-21(18,19)11-14-7-5-4-6-8-14/h4-10,17H,11H2,1-3H3.
What are the key properties of N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide?
N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 110776887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).