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

C19H11Cl4N3O5S — CID 2832032

IUPAC5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(2,5-dichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C19H11Cl4N3O5S/c20-10-2-6-16(13(7-10)19(27)24-17-8-11(21)1-4-14(17)22)25-32(30,31)12-3-5-15(23)18(9-12)26(28)29/h1-9,25H,(H,24,27)
InChIKeyILGJOYTVNFAJKP-UHFFFAOYSA-N
MW535.19 g/mol
LogP6.26
Rot. Bonds6

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

5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(2,5-dichlorophenyl)benzamide (PubChem CID 2832032) has the molecular formula C19H11Cl4N3O5S and a molecular weight of 535.19 g/mol. Its IUPAC name is 5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(2,5-dichlorophenyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(2,5-dichlorophenyl)benzamide
PubChem CID2832032
Molecular FormulaC19H11Cl4N3O5S
Molecular Weight535.19 g/mol
Exact Mass532.92
IUPAC Name5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(2,5-dichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C19H11Cl4N3O5S/c20-10-2-6-16(13(7-10)19(27)24-17-8-11(21)1-4-14(17)22)25-32(30,31)12-3-5-15(23)18(9-12)26(28)29/h1-9,25H,(H,24,27)
InChIKeyILGJOYTVNFAJKP-UHFFFAOYSA-N
XLogP6.26
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.19
LogP ≤ 56.26
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-N-(2-chloro-4-nitrophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 124157387
N-[4-(acetylsulfamoyl)phenyl]-4-chloro-2-nitrobenzamide
CID 1371333
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-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dichlorophenyl)benzamide
CID 1648648
5-bromo-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
CID 2832018
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-chloro-3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide
CID 3280970
5-bromo-2-{[(4-chloro-3-nitrophenyl)sulfonyl]amino}-N-(3,4-dichlorophenyl)benzamide
CID 4457503

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(2,5-dichlorophenyl)benzamide?
The IUPAC name of 5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(2,5-dichlorophenyl)benzamide (CID 2832032) is 5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(2,5-dichlorophenyl)benzamide.
What is the SMILES notation for 5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(2,5-dichlorophenyl)benzamide?
The canonical SMILES for 5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(2,5-dichlorophenyl)benzamide is O=C(Nc1cc(Cl)ccc1Cl)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-(2,5-dichlorophenyl)benzamide?
The InChIKey is ILGJOYTVNFAJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl4N3O5S/c20-10-2-6-16(13(7-10)19(27)24-17-8-11(21)1-4-14(17)22)25-32(30,31)12-3-5-15(23)18(9-12)26(28)29/h1-9,25H,(H,24,27).
What are the key properties of 5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(2,5-dichlorophenyl)benzamide?
5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(2,5-dichlorophenyl)benzamide has a molecular weight of 535.19 g/mol, XLogP of 6.26, 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-(2,5-dichlorophenyl)benzamide is sourced from PubChem (CID 2832032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).