4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide

C20H19BrN2O4S2 — CID 1312782

IUPAC4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)c(C)c1
InChIInChI=1S/C20H19BrN2O4S2/c1-14-3-12-20(15(2)13-14)23-29(26,27)19-10-6-17(7-11-19)22-28(24,25)18-8-4-16(21)5-9-18/h3-13,22-23H,1-2H3
InChIKeyPKNMSYVVVMKUKG-UHFFFAOYSA-N
MW495.42 g/mol
LogP4.67
Rot. Bonds6

About 4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide

4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide (PubChem CID 1312782) has the molecular formula C20H19BrN2O4S2 and a molecular weight of 495.42 g/mol. Its IUPAC name is 4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide
PubChem CID1312782
Molecular FormulaC20H19BrN2O4S2
Molecular Weight495.42 g/mol
Exact Mass494.00
IUPAC Name4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)c(C)c1
InChIInChI=1S/C20H19BrN2O4S2/c1-14-3-12-20(15(2)13-14)23-29(26,27)19-10-6-17(7-11-19)22-28(24,25)18-8-4-16(21)5-9-18/h3-13,22-23H,1-2H3
InChIKeyPKNMSYVVVMKUKG-UHFFFAOYSA-N
XLogP4.67
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.42
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 1333820
N-(2,4-dimethylphenyl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2711951
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
5-bromo-2-chloro-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 100536288
5-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 17094248
N-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide
CID 22774646
4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161995
3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 5095159
4-bromo-N-(2-hydroxy-3,5-dimethylphenyl)benzenesulfonamide
CID 3689822
2-(4-bromophenoxy)-N-[[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]acetamide
CID 3347596
N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 28715386
N-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507393

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide?
The IUPAC name of 4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide (CID 1312782) is 4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)c(C)c1.
What is the InChIKey of 4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide?
The InChIKey is PKNMSYVVVMKUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O4S2/c1-14-3-12-20(15(2)13-14)23-29(26,27)19-10-6-17(7-11-19)22-28(24,25)18-8-4-16(21)5-9-18/h3-13,22-23H,1-2H3.
What are the key properties of 4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide?
4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide has a molecular weight of 495.42 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 1312782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).