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

C20H20N2O2S — CID 112985985

IUPAC4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C20H20N2O2S/c1-15-6-12-20(13-7-15)25(23,24)22-18-10-8-17(9-11-18)21-19-5-3-4-16(2)14-19/h3-14,21-22H,1-2H3
InChIKeyIJXNMDPNWVXCJY-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.85
Rot. Bonds5

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

4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide (PubChem CID 112985985) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
PubChem CID112985985
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C20H20N2O2S/c1-15-6-12-20(13-7-15)25(23,24)22-18-10-8-17(9-11-18)21-19-5-3-4-16(2)14-19/h3-14,21-22H,1-2H3
InChIKeyIJXNMDPNWVXCJY-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

3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112986000
N-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986001
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
N-[4-(3-fluoroanilino)phenyl]-4-methylbenzenesulfonamide
CID 112988985
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-(ethylamino)-N-(3-methylphenyl)benzenesulfonamide
CID 62148415
[4-[(3-methylphenyl)sulfamoyl]phenyl] 4-methylbenzenesulfonate
CID 20705329
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068
1-N-methyl-4-N-[4-(3-methylphenyl)phenyl]benzene-1,4-disulfonamide
CID 167965219
N-(3-methylphenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126363159
N-[4-[4-(dimethylamino)anilino]phenyl]-3-methylbenzenesulfonamide
CID 112988717
4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016275

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide (CID 112985985) is 4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(C)c3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide?
The InChIKey is IJXNMDPNWVXCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-15-6-12-20(13-7-15)25(23,24)22-18-10-8-17(9-11-18)21-19-5-3-4-16(2)14-19/h3-14,21-22H,1-2H3.
What are the key properties of 4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide?
4-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 4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112985985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).