4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide

C19H17ClN2O4S2 — CID 3719852

IUPAC4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C19H17ClN2O4S2/c1-14-2-6-16(7-3-14)21-28(25,26)19-12-8-17(9-13-19)22-27(23,24)18-10-4-15(20)5-11-18/h2-13,21-22H,1H3
InChIKeyDSHHYNVKHNURKP-UHFFFAOYSA-N
MW436.94 g/mol
LogP4.25
Rot. Bonds6

About 4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide

4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 3719852) has the molecular formula C19H17ClN2O4S2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
PubChem CID3719852
Molecular FormulaC19H17ClN2O4S2
Molecular Weight436.94 g/mol
Exact Mass436.03
IUPAC Name4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C19H17ClN2O4S2/c1-14-2-6-16(7-3-14)21-28(25,26)19-12-8-17(9-13-19)22-27(23,24)18-10-4-15(20)5-11-18/h2-13,21-22H,1H3
InChIKeyDSHHYNVKHNURKP-UHFFFAOYSA-N
XLogP4.25
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
4-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3637891
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide
CID 112979886
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
4-[(4-chlorophenyl)sulfonylamino]-N-ethylbenzenesulfonamide
CID 22203365
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide (CID 3719852) is 4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is DSHHYNVKHNURKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4S2/c1-14-2-6-16(7-3-14)21-28(25,26)19-12-8-17(9-13-19)22-27(23,24)18-10-4-15(20)5-11-18/h2-13,21-22H,1H3.
What are the key properties of 4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide?
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 436.94 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 3719852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).