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

C19H13Cl2N3O5S — CID 2909414

IUPAC4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H13Cl2N3O5S/c20-13-6-8-14(9-7-13)23-30(28,29)18-11-12(5-10-15(18)21)19(25)22-16-3-1-2-4-17(16)24(26)27/h1-11,23H,(H,22,25)
InChIKeyYBKIIZMDHNBNFG-UHFFFAOYSA-N
MW466.30 g/mol
LogP4.95
Rot. Bonds6

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

4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide (PubChem CID 2909414) has the molecular formula C19H13Cl2N3O5S and a molecular weight of 466.30 g/mol. Its IUPAC name is 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide
PubChem CID2909414
Molecular FormulaC19H13Cl2N3O5S
Molecular Weight466.30 g/mol
Exact Mass465.00
IUPAC Name4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H13Cl2N3O5S/c20-13-6-8-14(9-7-13)23-30(28,29)18-11-12(5-10-15(18)21)19(25)22-16-3-1-2-4-17(16)24(26)27/h1-11,23H,(H,22,25)
InChIKeyYBKIIZMDHNBNFG-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

4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide
CID 2910523
4-chloro-N-(2-fluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 126413264
4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 2304457
5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 78838843
4-chloro-N-(3-chloro-2-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3288901
4-iodo-N-(2-nitrophenyl)benzamide
CID 2889506
3-(benzylsulfamoyl)-4-chloro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 24635072
4-chloro-3-(phenylsulfamoyl)-N-(2-phenylsulfanylphenyl)benzamide
CID 126416748
4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126388299
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126414116
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 2342892
4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide
CID 4655092

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide?
The IUPAC name of 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide (CID 2909414) is 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide?
The canonical SMILES for 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide is O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide?
The InChIKey is YBKIIZMDHNBNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O5S/c20-13-6-8-14(9-7-13)23-30(28,29)18-11-12(5-10-15(18)21)19(25)22-16-3-1-2-4-17(16)24(26)27/h1-11,23H,(H,22,25).
What are the key properties of 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide?
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide 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 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide is sourced from PubChem (CID 2909414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).