4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide

C20H20N2O4S2 — CID 3385972

IUPAC4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C20H20N2O4S2/c1-15-12-16(2)14-18(13-15)22-28(25,26)20-10-8-17(9-11-20)21-27(23,24)19-6-4-3-5-7-19/h3-14,21-22H,1-2H3
InChIKeyVKBLJCLYIOHNIL-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.91
Rot. Bonds6

About 4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide

4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide (PubChem CID 3385972) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide
PubChem CID3385972
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC Name4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C20H20N2O4S2/c1-15-12-16(2)14-18(13-15)22-28(25,26)20-10-8-17(9-11-20)21-27(23,24)19-6-4-3-5-7-19/h3-14,21-22H,1-2H3
InChIKeyVKBLJCLYIOHNIL-UHFFFAOYSA-N
XLogP3.91
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide
CID 874153
4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109061613
[3-methyl-5-[(4-methylphenyl)sulfonylamino]phenyl] benzenesulfonate
CID 23206315
N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide
CID 60640316
4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
CID 2230301
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
CID 28575633
N-[3-(3,5-dimethylanilino)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide
CID 46187764
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 4927444
N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 54422593
4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 25035913

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide?
The IUPAC name of 4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide (CID 3385972) is 4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1.
What is the InChIKey of 4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide?
The InChIKey is VKBLJCLYIOHNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-15-12-16(2)14-18(13-15)22-28(25,26)20-10-8-17(9-11-20)21-27(23,24)19-6-4-3-5-7-19/h3-14,21-22H,1-2H3.
What are the key properties of 4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide?
4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide has a molecular weight of 416.52 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 3385972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).