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

C19H12Cl3N3O5S — CID 2832019

IUPAC5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C19H12Cl3N3O5S/c20-11-1-4-13(5-2-11)23-19(26)15-9-12(21)3-8-17(15)24-31(29,30)14-6-7-16(22)18(10-14)25(27)28/h1-10,24H,(H,23,26)
InChIKeyBFXLAXBXCXOWNH-UHFFFAOYSA-N
MW500.75 g/mol
LogP5.61
Rot. Bonds6

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

5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide (PubChem CID 2832019) has the molecular formula C19H12Cl3N3O5S and a molecular weight of 500.75 g/mol. Its IUPAC name is 5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
PubChem CID2832019
Molecular FormulaC19H12Cl3N3O5S
Molecular Weight500.75 g/mol
Exact Mass498.96
IUPAC Name5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C19H12Cl3N3O5S/c20-11-1-4-13(5-2-11)23-19(26)15-9-12(21)3-8-17(15)24-31(29,30)14-6-7-16(22)18(10-14)25(27)28/h1-10,24H,(H,23,26)
InChIKeyBFXLAXBXCXOWNH-UHFFFAOYSA-N
XLogP5.61
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.75
LogP ≤ 55.61
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

5-bromo-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(2,5-dichlorophenyl)benzamide
CID 2832027
5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(2,5-dichlorophenyl)benzamide
CID 2832032
5-chloro-N-(2-chloro-4-nitrophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 124157387
N-[4-(acetylsulfamoyl)phenyl]-4-chloro-2-nitrobenzamide
CID 1371333
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 3431315
2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(3,5-dichlorophenyl)benzamide
CID 44563676
4-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-nitrobenzamide
CID 16253041
N-Benzyl-5-chloro-2-(4-chloro-benzenesulfonylamino)-benzamide
CID 9910831
2-(benzenesulfonamido)-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide
CID 163370454
3-Benzenesulfonylamino-N-(2-benzoyl-4-chloro-phenyl)-propionamide
CID 1859962
5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-nitrobenzamide
CID 24979576
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dichlorophenyl)benzamide
CID 1648648

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide?
The IUPAC name of 5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide (CID 2832019) is 5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide.
What is the SMILES notation for 5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide?
The canonical SMILES for 5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide is O=C(Nc1ccc(Cl)cc1)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-(4-chlorophenyl)benzamide?
The InChIKey is BFXLAXBXCXOWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3N3O5S/c20-11-1-4-13(5-2-11)23-19(26)15-9-12(21)3-8-17(15)24-31(29,30)14-6-7-16(22)18(10-14)25(27)28/h1-10,24H,(H,23,26).
What are the key properties of 5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide?
5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide has a molecular weight of 500.75 g/mol, XLogP of 5.61, 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-(4-chlorophenyl)benzamide is sourced from PubChem (CID 2832019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).