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

C19H12BrCl2N3O5S — CID 2832018

IUPAC5-bromo-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C19H12BrCl2N3O5S/c20-11-1-8-17(15(9-11)19(26)23-13-4-2-12(21)3-5-13)24-31(29,30)14-6-7-16(22)18(10-14)25(27)28/h1-10,24H,(H,23,26)
InChIKeyBYNVFGDAFLKAOO-UHFFFAOYSA-N
MW545.20 g/mol
LogP5.72
Rot. Bonds6

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

5-bromo-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide (PubChem CID 2832018) has the molecular formula C19H12BrCl2N3O5S and a molecular weight of 545.20 g/mol. Its IUPAC name is 5-bromo-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
PubChem CID2832018
Molecular FormulaC19H12BrCl2N3O5S
Molecular Weight545.20 g/mol
Exact Mass542.91
IUPAC Name5-bromo-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C19H12BrCl2N3O5S/c20-11-1-8-17(15(9-11)19(26)23-13-4-2-12(21)3-5-13)24-31(29,30)14-6-7-16(22)18(10-14)25(27)28/h1-10,24H,(H,23,26)
InChIKeyBYNVFGDAFLKAOO-UHFFFAOYSA-N
XLogP5.72
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.20
LogP ≤ 55.72
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-bromo-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 6456062
2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(3,5-dichlorophenyl)benzamide
CID 44563676
2-(benzenesulfonamido)-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide
CID 163370454
5-bromo-N-(2-chloro-4-nitrophenyl)-2-(methanesulfonamido)benzamide
CID 163370571
2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dichlorophenyl)benzamide
CID 2331891
5-bromo-N-(4-chlorophenyl)-2-{[(4-chlorophenyl)sulfonyl]amino}benzamide
CID 1547772
5-Chloro-2-(((4-chloro-3-nitrophenyl)sulfonyl)amino)-N-(4-chlorophenyl)benzamide
CID 2832019
2-[(3-nitrophenyl)sulfonylamino]-N-(3,4,5-trichlorophenyl)benzamide
CID 135379342
N-(2,4-dichlorophenyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide
CID 139463216
2-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
CID 155536568

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide?
The IUPAC name of 5-bromo-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide (CID 2832018) is 5-bromo-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide.
What is the SMILES notation for 5-bromo-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide?
The canonical SMILES for 5-bromo-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide is O=C(Nc1ccc(Cl)cc1)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 5-bromo-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide?
The InChIKey is BYNVFGDAFLKAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrCl2N3O5S/c20-11-1-8-17(15(9-11)19(26)23-13-4-2-12(21)3-5-13)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-bromo-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide?
5-bromo-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide has a molecular weight of 545.20 g/mol, XLogP of 5.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide is sourced from PubChem (CID 2832018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).