5-(6-benzoyl-3-hydrazinyl-2-nitrobenzoyl)-2-chlorobenzenesulfonamide

C20H15ClN4O6S — CID 151366458

IUPAC5-(6-benzoyl-3-hydrazinyl-2-nitrobenzoyl)-2-chlorobenzenesulfonamide
SMILESNNc1ccc(C(=O)c2ccccc2)c(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1[N+](=O)[O-]
InChIInChI=1S/C20H15ClN4O6S/c21-14-8-6-12(10-16(14)32(23,30)31)20(27)17-13(19(26)11-4-2-1-3-5-11)7-9-15(24-22)18(17)25(28)29/h1-10,24H,22H2,(H2,23,30,31)
InChIKeyOPNNIGGFILAVNH-UHFFFAOYSA-N
MW474.88 g/mol
LogP2.64
Rot. Bonds7

About 5-(6-benzoyl-3-hydrazinyl-2-nitrobenzoyl)-2-chlorobenzenesulfonamide

5-(6-benzoyl-3-hydrazinyl-2-nitrobenzoyl)-2-chlorobenzenesulfonamide (PubChem CID 151366458) has the molecular formula C20H15ClN4O6S and a molecular weight of 474.88 g/mol. Its IUPAC name is 5-(6-benzoyl-3-hydrazinyl-2-nitrobenzoyl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name5-(6-benzoyl-3-hydrazinyl-2-nitrobenzoyl)-2-chlorobenzenesulfonamide
PubChem CID151366458
Molecular FormulaC20H15ClN4O6S
Molecular Weight474.88 g/mol
Exact Mass474.04
IUPAC Name5-(6-benzoyl-3-hydrazinyl-2-nitrobenzoyl)-2-chlorobenzenesulfonamide
SMILESNNc1ccc(C(=O)c2ccccc2)c(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1[N+](=O)[O-]
InChIInChI=1S/C20H15ClN4O6S/c21-14-8-6-12(10-16(14)32(23,30)31)20(27)17-13(19(26)11-4-2-1-3-5-11)7-9-15(24-22)18(17)25(28)29/h1-10,24H,22H2,(H2,23,30,31)
InChIKeyOPNNIGGFILAVNH-UHFFFAOYSA-N
XLogP2.64
TPSA175.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.88
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-(4-chloro-3-sulfamoylbenzoyl)-4-hydrazinylbenzoic acid
CID 152740406
2-(4-chloro-3-sulfamoylbenzoyl)benzamide
CID 12850058
4-[(4-chloro-3-sulfamoylbenzoyl)-nitramidoamino]benzoic acid
CID 19858132
4-chloro-N-methyl-3-sulfamoylbenzamide
CID 60637185
2-chloro-5-(2-fluoro-6-phenylbenzoyl)benzenesulfonamide
CID 141249458
aniline;5-(4-anilinobenzoyl)-2-chlorobenzenesulfonamide;5-(4-bromobenzoyl)-2-chlorobenzenesulfonamide
CID 158520289
5-(4-amino-5-benzoyl-2-sulfanylidene-3H-benzimidazole-1-carbonyl)-2-chlorobenzenesulfonamide
CID 150683239
2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide
CID 58107414
2-chloro-5-(1,2-dimethylindole-3-carbonyl)benzenesulfonamide
CID 21316638
2-chloro-5-[4-(3-phenylpropanoyl)benzoyl]benzenesulfonamide;4-(4-chloro-3-sulfamoylbenzoyl)benzoic acid;methane
CID 162149031
benzamide;2-benzoyl-5-chlorobenzenesulfonamide
CID 174396594
2-(4-chloro-3-sulfobenzoyl)benzoic acid
CID 12850057

Frequently Asked Questions

What is the IUPAC name of 5-(6-benzoyl-3-hydrazinyl-2-nitrobenzoyl)-2-chlorobenzenesulfonamide?
The IUPAC name of 5-(6-benzoyl-3-hydrazinyl-2-nitrobenzoyl)-2-chlorobenzenesulfonamide (CID 151366458) is 5-(6-benzoyl-3-hydrazinyl-2-nitrobenzoyl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for 5-(6-benzoyl-3-hydrazinyl-2-nitrobenzoyl)-2-chlorobenzenesulfonamide?
The canonical SMILES for 5-(6-benzoyl-3-hydrazinyl-2-nitrobenzoyl)-2-chlorobenzenesulfonamide is NNc1ccc(C(=O)c2ccccc2)c(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1[N+](=O)[O-].
What is the InChIKey of 5-(6-benzoyl-3-hydrazinyl-2-nitrobenzoyl)-2-chlorobenzenesulfonamide?
The InChIKey is OPNNIGGFILAVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O6S/c21-14-8-6-12(10-16(14)32(23,30)31)20(27)17-13(19(26)11-4-2-1-3-5-11)7-9-15(24-22)18(17)25(28)29/h1-10,24H,22H2,(H2,23,30,31).
What are the key properties of 5-(6-benzoyl-3-hydrazinyl-2-nitrobenzoyl)-2-chlorobenzenesulfonamide?
5-(6-benzoyl-3-hydrazinyl-2-nitrobenzoyl)-2-chlorobenzenesulfonamide has a molecular weight of 474.88 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-benzoyl-3-hydrazinyl-2-nitrobenzoyl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 151366458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).