3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide

C19H15Cl2NO4S2 — CID 1101032

IUPAC3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)c1
InChIInChI=1S/C19H15Cl2NO4S2/c1-13-4-2-5-14(10-13)22-28(25,26)17-7-3-6-15(11-17)27(23,24)16-8-9-18(20)19(21)12-16/h2-12,22H,1H3
InChIKeyKPZKVQMCUZMOND-UHFFFAOYSA-N
MW456.37 g/mol
LogP4.94
Rot. Bonds5

About 3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide

3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 1101032) has the molecular formula C19H15Cl2NO4S2 and a molecular weight of 456.37 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide
PubChem CID1101032
Molecular FormulaC19H15Cl2NO4S2
Molecular Weight456.37 g/mol
Exact Mass454.98
IUPAC Name3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)c1
InChIInChI=1S/C19H15Cl2NO4S2/c1-13-4-2-5-14(10-13)22-28(25,26)17-7-3-6-15(11-17)27(23,24)16-8-9-18(20)19(21)12-16/h2-12,22H,1H3
InChIKeyKPZKVQMCUZMOND-UHFFFAOYSA-N
XLogP4.94
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.37
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
3-(3,4-dichlorophenyl)sulfonyl-N-(3-fluorophenyl)benzenesulfonamide
CID 134089881
2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 6921137
3-(3,4-dichlorophenyl)sulfonyl-N-methylbenzenesulfonamide
CID 71590941
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide
CID 143959278
3-(3,4-dichlorophenyl)sulfonyl-N-(4-phenoxyphenyl)benzenesulfonamide
CID 25048378
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 54895572
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727340
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide (CID 1101032) is 3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is KPZKVQMCUZMOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO4S2/c1-13-4-2-5-14(10-13)22-28(25,26)17-7-3-6-15(11-17)27(23,24)16-8-9-18(20)19(21)12-16/h2-12,22H,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide?
3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 456.37 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 1101032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).