3-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide

C22H23ClN2O4S2 — CID 55603621

IUPAC3-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(NS(=O)(=O)c3cc(Cl)ccc3C)c2)c(C)c1
InChIInChI=1S/C22H23ClN2O4S2/c1-14-5-10-20(17(4)11-14)24-30(26,27)19-9-7-15(2)21(13-19)25-31(28,29)22-12-18(23)8-6-16(22)3/h5-13,24-25H,1-4H3
InChIKeyJIPJCFWEEJMGDA-UHFFFAOYSA-N
MW479.02 g/mol
LogP5.18
Rot. Bonds6

About 3-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide

3-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide (PubChem CID 55603621) has the molecular formula C22H23ClN2O4S2 and a molecular weight of 479.02 g/mol. Its IUPAC name is 3-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide
PubChem CID55603621
Molecular FormulaC22H23ClN2O4S2
Molecular Weight479.02 g/mol
Exact Mass478.08
IUPAC Name3-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(NS(=O)(=O)c3cc(Cl)ccc3C)c2)c(C)c1
InChIInChI=1S/C22H23ClN2O4S2/c1-14-5-10-20(17(4)11-14)24-30(26,27)19-9-7-15(2)21(13-19)25-31(28,29)22-12-18(23)8-6-16(22)3/h5-13,24-25H,1-4H3
InChIKeyJIPJCFWEEJMGDA-UHFFFAOYSA-N
XLogP5.18
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.02
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 47308842
5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 39845488
N-(4-chloro-2-methylphenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3361806
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 35508307
N-(4-chloro-2-methylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 21368314
2,4-dimethyl-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide
CID 26267558
5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 38888748
4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 3644153
5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 28537891
2-fluoro-5-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 60532585

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide (CID 55603621) is 3-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C)c(NS(=O)(=O)c3cc(Cl)ccc3C)c2)c(C)c1.
What is the InChIKey of 3-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is JIPJCFWEEJMGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O4S2/c1-14-5-10-20(17(4)11-14)24-30(26,27)19-9-7-15(2)21(13-19)25-31(28,29)22-12-18(23)8-6-16(22)3/h5-13,24-25H,1-4H3.
What are the key properties of 3-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide?
3-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 479.02 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 55603621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).