2-methoxy-5-methyl-N-[4-(N-methylanilino)phenyl]benzenesulfonamide

C21H22N2O3S — CID 112986146

IUPAC2-methoxy-5-methyl-N-[4-(N-methylanilino)phenyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(N(C)c2ccccc2)cc1
InChIInChI=1S/C21H22N2O3S/c1-16-9-14-20(26-3)21(15-16)27(24,25)22-17-10-12-19(13-11-17)23(2)18-7-5-4-6-8-18/h4-15,22H,1-3H3
InChIKeyVCTZFEPJKKYXIR-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.57
Rot. Bonds6

About 2-methoxy-5-methyl-N-[4-(N-methylanilino)phenyl]benzenesulfonamide

2-methoxy-5-methyl-N-[4-(N-methylanilino)phenyl]benzenesulfonamide (PubChem CID 112986146) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[4-(N-methylanilino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[4-(N-methylanilino)phenyl]benzenesulfonamide
PubChem CID112986146
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name2-methoxy-5-methyl-N-[4-(N-methylanilino)phenyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(N(C)c2ccccc2)cc1
InChIInChI=1S/C21H22N2O3S/c1-16-9-14-20(26-3)21(15-16)27(24,25)22-17-10-12-19(13-11-17)23(2)18-7-5-4-6-8-18/h4-15,22H,1-3H3
InChIKeyVCTZFEPJKKYXIR-UHFFFAOYSA-N
XLogP4.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112
2-methoxy-5-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide
CID 110726303
N,N-diethyl-3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzamide
CID 8519190
2,5-dimethoxy-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016532
N-[4-(dimethylamino)phenyl]-2-methoxy-5-methylsulfonylbenzenesulfonamide
CID 110300283
2-methoxy-5-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 8514631
2-methoxy-5-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide
CID 110601340
3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
CID 8512318
N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113011512
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
CID 1332709

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[4-(N-methylanilino)phenyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[4-(N-methylanilino)phenyl]benzenesulfonamide (CID 112986146) is 2-methoxy-5-methyl-N-[4-(N-methylanilino)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[4-(N-methylanilino)phenyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[4-(N-methylanilino)phenyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1ccc(N(C)c2ccccc2)cc1.
What is the InChIKey of 2-methoxy-5-methyl-N-[4-(N-methylanilino)phenyl]benzenesulfonamide?
The InChIKey is VCTZFEPJKKYXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-16-9-14-20(26-3)21(15-16)27(24,25)22-17-10-12-19(13-11-17)23(2)18-7-5-4-6-8-18/h4-15,22H,1-3H3.
What are the key properties of 2-methoxy-5-methyl-N-[4-(N-methylanilino)phenyl]benzenesulfonamide?
2-methoxy-5-methyl-N-[4-(N-methylanilino)phenyl]benzenesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[4-(N-methylanilino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112986146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).