5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide

C19H15Cl2N3O3S — CID 78838843

IUPAC5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
SMILESO=C(NNc1ccccc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H15Cl2N3O3S/c20-14-7-9-16(10-8-14)24-28(26,27)18-12-13(6-11-17(18)21)19(25)23-22-15-4-2-1-3-5-15/h1-12,22,24H,(H,23,25)
InChIKeyDVCQVJTXVJSYPL-UHFFFAOYSA-N
MW436.32 g/mol
LogP4.55
Rot. Bonds6

About 5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide

5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide (PubChem CID 78838843) has the molecular formula C19H15Cl2N3O3S and a molecular weight of 436.32 g/mol. Its IUPAC name is 5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
PubChem CID78838843
Molecular FormulaC19H15Cl2N3O3S
Molecular Weight436.32 g/mol
Exact Mass435.02
IUPAC Name5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
SMILESO=C(NNc1ccccc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H15Cl2N3O3S/c20-14-7-9-16(10-8-14)24-28(26,27)18-12-13(6-11-17(18)21)19(25)23-22-15-4-2-1-3-5-15/h1-12,22,24H,(H,23,25)
InChIKeyDVCQVJTXVJSYPL-UHFFFAOYSA-N
XLogP4.55
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.32
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 2304457
4-chloro-N-(2-fluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 126413264
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
CID 776763
3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 3340869
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
CID 27555838
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylsulfamoyl)benzamide
CID 4320437
4-chloro-N'-phenyl-3-piperidin-1-ylsulfonylbenzohydrazide
CID 78774797
4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide
CID 5028391
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide
CID 2909414
4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126388299

Frequently Asked Questions

What is the IUPAC name of 5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide?
The IUPAC name of 5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide (CID 78838843) is 5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide.
What is the SMILES notation for 5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide?
The canonical SMILES for 5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide is O=C(NNc1ccccc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide?
The InChIKey is DVCQVJTXVJSYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O3S/c20-14-7-9-16(10-8-14)24-28(26,27)18-12-13(6-11-17(18)21)19(25)23-22-15-4-2-1-3-5-15/h1-12,22,24H,(H,23,25).
What are the key properties of 5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide?
5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide has a molecular weight of 436.32 g/mol, XLogP of 4.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide is sourced from PubChem (CID 78838843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).