N'-(benzenesulfonyl)-3-(4-chlorophenyl)benzohydrazide

C19H15ClN2O3S — CID 135298531

IUPACN'-(benzenesulfonyl)-3-(4-chlorophenyl)benzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H15ClN2O3S/c20-17-11-9-14(10-12-17)15-5-4-6-16(13-15)19(23)21-22-26(24,25)18-7-2-1-3-8-18/h1-13,22H,(H,21,23)
InChIKeyYDMOXQFXDKRCSO-UHFFFAOYSA-N
MW386.86 g/mol
LogP3.63
Rot. Bonds5

About N'-(benzenesulfonyl)-3-(4-chlorophenyl)benzohydrazide

N'-(benzenesulfonyl)-3-(4-chlorophenyl)benzohydrazide (PubChem CID 135298531) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-3-(4-chlorophenyl)benzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-3-(4-chlorophenyl)benzohydrazide
PubChem CID135298531
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC NameN'-(benzenesulfonyl)-3-(4-chlorophenyl)benzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H15ClN2O3S/c20-17-11-9-14(10-12-17)15-5-4-6-16(13-15)19(23)21-22-26(24,25)18-7-2-1-3-8-18/h1-13,22H,(H,21,23)
InChIKeyYDMOXQFXDKRCSO-UHFFFAOYSA-N
XLogP3.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tcn-201
CID 4787937
2-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
CID 124132190
(1,1'-Biphenyl)-3-carboxylic acid, 4-fluoro-5-methyl-, 2-(phenylsulfonyl)hydrazide
CID 133053564
N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
CID 134581289
N'-(4-Fluorobiphenyl-3-carbonyl)benzenesulfonohydrazide
CID 134581360
N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 4789601
2,4-dichloro-N-(3-phenylphenyl)sulfonylbenzamide
CID 11750102
N'-(benzenesulfonyl)-3-(3-fluorophenyl)benzohydrazide
CID 124132127
N'-(2-fluorophenyl)sulfonyl-3-phenylbenzohydrazide
CID 124132147
N'-(benzenesulfonyl)-3-(3-chlorophenyl)benzohydrazide
CID 124132157
N'-(benzenesulfonyl)-3-chloro-2-fluoro-5-phenylbenzohydrazide
CID 124132194
N'-(benzenesulfonyl)-3-chloro-2-fluorobenzohydrazide
CID 134581202

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-3-(4-chlorophenyl)benzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-3-(4-chlorophenyl)benzohydrazide (CID 135298531) is N'-(benzenesulfonyl)-3-(4-chlorophenyl)benzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-3-(4-chlorophenyl)benzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-3-(4-chlorophenyl)benzohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of N'-(benzenesulfonyl)-3-(4-chlorophenyl)benzohydrazide?
The InChIKey is YDMOXQFXDKRCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c20-17-11-9-14(10-12-17)15-5-4-6-16(13-15)19(23)21-22-26(24,25)18-7-2-1-3-8-18/h1-13,22H,(H,21,23).
What are the key properties of N'-(benzenesulfonyl)-3-(4-chlorophenyl)benzohydrazide?
N'-(benzenesulfonyl)-3-(4-chlorophenyl)benzohydrazide has a molecular weight of 386.86 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-3-(4-chlorophenyl)benzohydrazide is sourced from PubChem (CID 135298531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).