4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide

C21H22N2O2S — CID 112982191

IUPAC4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide
SMILESCc1ccc(CNc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C21H22N2O2S/c1-16-3-7-18(8-4-16)15-22-19-9-11-20(12-10-19)23-26(24,25)21-13-5-17(2)6-14-21/h3-14,22-23H,15H2,1-2H3
InChIKeyUVUNBRKGUIEGOC-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.72
Rot. Bonds6

About 4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide

4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide (PubChem CID 112982191) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide
PubChem CID112982191
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide
SMILESCc1ccc(CNc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C21H22N2O2S/c1-16-3-7-18(8-4-16)15-22-19-9-11-20(12-10-19)23-26(24,25)21-13-5-17(2)6-14-21/h3-14,22-23H,15H2,1-2H3
InChIKeyUVUNBRKGUIEGOC-UHFFFAOYSA-N
XLogP4.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 65481186
4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 16643195
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide
CID 112982187
4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide
CID 112980396
N-[(4-methylphenyl)methyl]-4-propylsulfonylaniline
CID 43453453
3,5-dimethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]-1H-pyrazole-4-sulfonamide
CID 112982208
N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]prop-2-enamide
CID 57217486
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113027303
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 16942030
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide
CID 112982611

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide (CID 112982191) is 4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide is Cc1ccc(CNc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide?
The InChIKey is UVUNBRKGUIEGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-16-3-7-18(8-4-16)15-22-19-9-11-20(12-10-19)23-26(24,25)21-13-5-17(2)6-14-21/h3-14,22-23H,15H2,1-2H3.
What are the key properties of 4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide?
4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide has a molecular weight of 366.49 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide is sourced from PubChem (CID 112982191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).