N'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide

C13H10ClN3O5S — CID 3409040

IUPACN'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10ClN3O5S/c14-11-7-6-9(8-12(11)17(19)20)13(18)15-16-23(21,22)10-4-2-1-3-5-10/h1-8,16H,(H,15,18)
InChIKeyFSMAAQLEEOJDLR-UHFFFAOYSA-N
MW355.76 g/mol
LogP1.87
Rot. Bonds5

About N'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide

N'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide (PubChem CID 3409040) has the molecular formula C13H10ClN3O5S and a molecular weight of 355.76 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide
PubChem CID3409040
Molecular FormulaC13H10ClN3O5S
Molecular Weight355.76 g/mol
Exact Mass355.00
IUPAC NameN'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10ClN3O5S/c14-11-7-6-9(8-12(11)17(19)20)13(18)15-16-23(21,22)10-4-2-1-3-5-10/h1-8,16H,(H,15,18)
InChIKeyFSMAAQLEEOJDLR-UHFFFAOYSA-N
XLogP1.87
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.76
LogP ≤ 51.87
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-nitro-N'-(3-nitrobenzoyl)benzohydrazide
CID 3381280
N'-(benzenesulfonyl)naphthalene-2-carbohydrazide
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4-chloro-3-nitrobenzohydrazide
CID 3704353
N'-(4-chloro-3-nitrophenyl)sulfonyl-1-methylindole-3-carbohydrazide
CID 25359424
sodium N'-(benzenesulfonyl)benzohydrazide
CID 54612136
[(4-chloro-3-nitrophenyl)sulfonylamino]thiourea
CID 65214693
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
4-chloro-3-nitro-N-[(1R)-1-phenylethyl]benzamide
CID 721213
3-hydroxy-N'-(4-nitrophenyl)sulfonylbenzohydrazide
CID 1129573
N'-(benzenesulfonyl)-3-bromobenzohydrazide
CID 1035450
4-chloro-N-[3-[(4-chloro-3-nitrobenzoyl)amino]propyl]-3-nitrobenzamide
CID 4981185
4-chloro-3-nitro-N-pyrimidin-2-ylbenzamide
CID 3113449

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide (CID 3409040) is N'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide?
The InChIKey is FSMAAQLEEOJDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O5S/c14-11-7-6-9(8-12(11)17(19)20)13(18)15-16-23(21,22)10-4-2-1-3-5-10/h1-8,16H,(H,15,18).
What are the key properties of N'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide?
N'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide has a molecular weight of 355.76 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide is sourced from PubChem (CID 3409040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).