N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide

C16H19NO4S — CID 8516229

IUPACN-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide
SMILESCOc1cc(C)c(NS(=O)(=O)Cc2ccccc2)cc1OC
InChIInChI=1S/C16H19NO4S/c1-12-9-15(20-2)16(21-3)10-14(12)17-22(18,19)11-13-7-5-4-6-8-13/h4-10,17H,11H2,1-3H3
InChIKeyKNPDLFQMURUVML-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.95
Rot. Bonds6

About N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide

N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide (PubChem CID 8516229) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide
PubChem CID8516229
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide
SMILESCOc1cc(C)c(NS(=O)(=O)Cc2ccccc2)cc1OC
InChIInChI=1S/C16H19NO4S/c1-12-9-15(20-2)16(21-3)10-14(12)17-22(18,19)11-13-7-5-4-6-8-13/h4-10,17H,11H2,1-3H3
InChIKeyKNPDLFQMURUVML-UHFFFAOYSA-N
XLogP2.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide
CID 110776887
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
N-benzyl-4,5-dimethoxy-2-methylaniline
CID 43230212
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
3-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpropane-1-sulfonamide
CID 79583591

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide (CID 8516229) is N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide is COc1cc(C)c(NS(=O)(=O)Cc2ccccc2)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide?
The InChIKey is KNPDLFQMURUVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-12-9-15(20-2)16(21-3)10-14(12)17-22(18,19)11-13-7-5-4-6-8-13/h4-10,17H,11H2,1-3H3.
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide?
N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 8516229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).