3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide

C20H20N2O2S — CID 112986000

IUPAC3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
SMILESCc1cccc(Nc2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)c1
InChIInChI=1S/C20H20N2O2S/c1-15-5-3-7-19(13-15)21-17-9-11-18(12-10-17)22-25(23,24)20-8-4-6-16(2)14-20/h3-14,21-22H,1-2H3
InChIKeyWCPVBSLFAJRLGK-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.85
Rot. Bonds5

About 3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide

3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide (PubChem CID 112986000) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
PubChem CID112986000
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
SMILESCc1cccc(Nc2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)c1
InChIInChI=1S/C20H20N2O2S/c1-15-5-3-7-19(13-15)21-17-9-11-18(12-10-17)22-25(23,24)20-8-4-6-16(2)14-20/h3-14,21-22H,1-2H3
InChIKeyWCPVBSLFAJRLGK-UHFFFAOYSA-N
XLogP4.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112985985
N-[4-[4-(dimethylamino)anilino]phenyl]-3-methylbenzenesulfonamide
CID 112988717
N-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986001
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]-3-methylbenzenesulfonamide
CID 112989275
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
4-[(3-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 21052319
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide
CID 53324532
N-[4-(2,4-difluoroanilino)phenyl]-3-methylbenzenesulfonamide
CID 112989459
N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
CID 43508584
3-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
CID 113094332
N-(4-amino-3-bromophenyl)-3-methylbenzenesulfonamide
CID 82861740

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide (CID 112986000) is 3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide is Cc1cccc(Nc2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide?
The InChIKey is WCPVBSLFAJRLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-15-5-3-7-19(13-15)21-17-9-11-18(12-10-17)22-25(23,24)20-8-4-6-16(2)14-20/h3-14,21-22H,1-2H3.
What are the key properties of 3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide?
3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide has a molecular weight of 352.46 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112986000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).