N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide

C16H19NO3S — CID 22202548

IUPACN-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C16H19NO3S/c1-11-5-7-15(10-12(11)2)21(18,19)17-16-8-6-14(20-4)9-13(16)3/h5-10,17H,1-4H3
InChIKeyWSHWLHAEZVHIFQ-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.42
Rot. Bonds4

About N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide

N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 22202548) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
PubChem CID22202548
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C16H19NO3S/c1-11-5-7-15(10-12(11)2)21(18,19)17-16-8-6-14(20-4)9-13(16)3/h5-10,17H,1-4H3
InChIKeyWSHWLHAEZVHIFQ-UHFFFAOYSA-N
XLogP3.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
N-(4-methoxy-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 62873560
N-(4-methoxy-2-methylphenyl)-2-methylbenzenesulfonamide
CID 62997670
N-(4-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 28941385
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130
N-(4-methoxy-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62871193
N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727135
4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22202576
3,4-dimethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 22774279
methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
CID 36525556

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide (CID 22202548) is N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is WSHWLHAEZVHIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-11-5-7-15(10-12(11)2)21(18,19)17-16-8-6-14(20-4)9-13(16)3/h5-10,17H,1-4H3.
What are the key properties of N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide?
N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 22202548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).