2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide

C22H24N2O4S2 — CID 2937162

IUPAC2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cc(S(=O)(=O)Nc3ccccc3)c(C)cc2C)cc1
InChIInChI=1S/C22H24N2O4S2/c1-16-10-12-20(13-11-16)30(27,28)24(4)21-15-22(18(3)14-17(21)2)29(25,26)23-19-8-6-5-7-9-19/h5-15,23H,1-4H3
InChIKeyFPAXKDVVYKJQHB-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.24
Rot. Bonds6

About 2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide

2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide (PubChem CID 2937162) has the molecular formula C22H24N2O4S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
PubChem CID2937162
Molecular FormulaC22H24N2O4S2
Molecular Weight444.58 g/mol
Exact Mass444.12
IUPAC Name2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cc(S(=O)(=O)Nc3ccccc3)c(C)cc2C)cc1
InChIInChI=1S/C22H24N2O4S2/c1-16-10-12-20(13-11-16)30(27,28)24(4)21-15-22(18(3)14-17(21)2)29(25,26)23-19-8-6-5-7-9-19/h5-15,23H,1-4H3
InChIKeyFPAXKDVVYKJQHB-UHFFFAOYSA-N
XLogP4.24
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)-2,4-dimethylbenzenesulfonamide
CID 2955900
2,4,5-trimethyl-N-phenylbenzenesulfonamide
CID 35725783
3,4-dimethyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 26980942
2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide
CID 925055
4-methyl-N-[3-[N-methyl-4-(N-methylanilino)anilino]phenyl]benzenesulfonamide
CID 54015900
1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide
CID 23387080
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
3-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 53278713
2-hydroxy-4-methyl-N-phenylbenzenesulfonamide
CID 173356701
3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide
CID 25331317
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
N-[4-(methanesulfonamido)phenyl]-N,4-dimethylbenzenesulfonamide
CID 1306381

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide?
The IUPAC name of 2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide (CID 2937162) is 2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2cc(S(=O)(=O)Nc3ccccc3)c(C)cc2C)cc1.
What is the InChIKey of 2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide?
The InChIKey is FPAXKDVVYKJQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S2/c1-16-10-12-20(13-11-16)30(27,28)24(4)21-15-22(18(3)14-17(21)2)29(25,26)23-19-8-6-5-7-9-19/h5-15,23H,1-4H3.
What are the key properties of 2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide?
2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide has a molecular weight of 444.58 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 2937162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).