5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide

C19H13Cl2N3O5S — CID 10183406

IUPAC5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C19H13Cl2N3O5S/c20-12-6-9-17(15(10-12)19(25)22-13-4-2-1-3-5-13)23-30(28,29)14-7-8-16(21)18(11-14)24(26)27/h1-11,23H,(H,22,25)
InChIKeyJFAALORGLCJOMH-UHFFFAOYSA-N
MW466.30 g/mol
LogP4.95
Rot. Bonds6

About 5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide

5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide (PubChem CID 10183406) has the molecular formula C19H13Cl2N3O5S and a molecular weight of 466.30 g/mol. Its IUPAC name is 5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide.

Molecular Properties

Compound Name5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide
PubChem CID10183406
Molecular FormulaC19H13Cl2N3O5S
Molecular Weight466.30 g/mol
Exact Mass465.00
IUPAC Name5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C19H13Cl2N3O5S/c20-12-6-9-17(15(10-12)19(25)22-13-4-2-1-3-5-13)23-30(28,29)14-7-8-16(21)18(11-14)24(26)27/h1-11,23H,(H,22,25)
InChIKeyJFAALORGLCJOMH-UHFFFAOYSA-N
XLogP4.95
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.30
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetylphenyl)-4-chloro-3-nitrobenzenesulfonamide
CID 4270377
5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid
CID 10205135
N-(4-carbamoylphenyl)-5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 22646280
2,5-dichloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]benzamide
CID 26593136
N-(3-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 44898444
4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
CID 2888137
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 139818443
4-[(4-chloro-3-nitrophenyl)sulfonylamino]-3-hydroxybenzoic acid
CID 108783441
4-chloro-N-(2-methylphenyl)-3-nitrobenzenesulfonamide
CID 7593889
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide
CID 22646340
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-3-nitrobenzamide
CID 26593187

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide?
The IUPAC name of 5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide (CID 10183406) is 5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide.
What is the SMILES notation for 5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide?
The canonical SMILES for 5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide is O=C(Nc1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide?
The InChIKey is JFAALORGLCJOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O5S/c20-12-6-9-17(15(10-12)19(25)22-13-4-2-1-3-5-13)23-30(28,29)14-7-8-16(21)18(11-14)24(26)27/h1-11,23H,(H,22,25).
What are the key properties of 5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide?
5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide has a molecular weight of 466.30 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide is sourced from PubChem (CID 10183406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).