N-[4-(2,4-dimethoxyanilino)phenyl]-2-methylbenzenesulfonamide

C21H22N2O4S — CID 112987972

IUPACN-[4-(2,4-dimethoxyanilino)phenyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(Nc2ccc(NS(=O)(=O)c3ccccc3C)cc2)c(OC)c1
InChIInChI=1S/C21H22N2O4S/c1-15-6-4-5-7-21(15)28(24,25)23-17-10-8-16(9-11-17)22-19-13-12-18(26-2)14-20(19)27-3/h4-14,22-23H,1-3H3
InChIKeyQYWZJQLQVYAQOX-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.56
Rot. Bonds7

About N-[4-(2,4-dimethoxyanilino)phenyl]-2-methylbenzenesulfonamide

N-[4-(2,4-dimethoxyanilino)phenyl]-2-methylbenzenesulfonamide (PubChem CID 112987972) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[4-(2,4-dimethoxyanilino)phenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethoxyanilino)phenyl]-2-methylbenzenesulfonamide
PubChem CID112987972
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-[4-(2,4-dimethoxyanilino)phenyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(Nc2ccc(NS(=O)(=O)c3ccccc3C)cc2)c(OC)c1
InChIInChI=1S/C21H22N2O4S/c1-15-6-4-5-7-21(15)28(24,25)23-17-10-8-16(9-11-17)22-19-13-12-18(26-2)14-20(19)27-3/h4-14,22-23H,1-3H3
InChIKeyQYWZJQLQVYAQOX-UHFFFAOYSA-N
XLogP4.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-2-methylphenyl)-2-methylbenzenesulfonamide
CID 62997670
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 28590092
5-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 26968930
N-[4-[2-(4-methoxyphenyl)ethylamino]phenyl]-2-methylbenzenesulfonamide
CID 112983681
4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide
CID 110776438
N-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 26979627
N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 110780745
N-(4-methoxy-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62871193
2-methyl-N-phenylbenzenesulfonamide
CID 3017048

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethoxyanilino)phenyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[4-(2,4-dimethoxyanilino)phenyl]-2-methylbenzenesulfonamide (CID 112987972) is N-[4-(2,4-dimethoxyanilino)phenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(2,4-dimethoxyanilino)phenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(2,4-dimethoxyanilino)phenyl]-2-methylbenzenesulfonamide is COc1ccc(Nc2ccc(NS(=O)(=O)c3ccccc3C)cc2)c(OC)c1.
What is the InChIKey of N-[4-(2,4-dimethoxyanilino)phenyl]-2-methylbenzenesulfonamide?
The InChIKey is QYWZJQLQVYAQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-15-6-4-5-7-21(15)28(24,25)23-17-10-8-16(9-11-17)22-19-13-12-18(26-2)14-20(19)27-3/h4-14,22-23H,1-3H3.
What are the key properties of N-[4-(2,4-dimethoxyanilino)phenyl]-2-methylbenzenesulfonamide?
N-[4-(2,4-dimethoxyanilino)phenyl]-2-methylbenzenesulfonamide has a molecular weight of 398.48 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethoxyanilino)phenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 112987972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).