4-chloro-N'-(2-fluorophenyl)sulfonylbenzohydrazide

C13H10ClFN2O3S — CID 8500432

IUPAC4-chloro-N'-(2-fluorophenyl)sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClFN2O3S/c14-10-7-5-9(6-8-10)13(18)16-17-21(19,20)12-4-2-1-3-11(12)15/h1-8,17H,(H,16,18)
InChIKeySGIVOAUIBZNREU-UHFFFAOYSA-N
MW328.75 g/mol
LogP2.10
Rot. Bonds4

About 4-chloro-N'-(2-fluorophenyl)sulfonylbenzohydrazide

4-chloro-N'-(2-fluorophenyl)sulfonylbenzohydrazide (PubChem CID 8500432) has the molecular formula C13H10ClFN2O3S and a molecular weight of 328.75 g/mol. Its IUPAC name is 4-chloro-N'-(2-fluorophenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(2-fluorophenyl)sulfonylbenzohydrazide
PubChem CID8500432
Molecular FormulaC13H10ClFN2O3S
Molecular Weight328.75 g/mol
Exact Mass328.01
IUPAC Name4-chloro-N'-(2-fluorophenyl)sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClFN2O3S/c14-10-7-5-9(6-8-10)13(18)16-17-21(19,20)12-4-2-1-3-11(12)15/h1-8,17H,(H,16,18)
InChIKeySGIVOAUIBZNREU-UHFFFAOYSA-N
XLogP2.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 52.10
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
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CID 256404
N-[2,4-dichlorobenzoyl]phenylsulfonamide
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N'-(2-fluorobenzenesulfonyl)benzohydrazide
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N'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide
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3-Fluorobenzoic acid 2-(phenylsulfonyl)hydrazide
CID 809461
2-(N-(4-fluorophenyl)sulfonylaminocarbonyl-hydrazinocarbonyl)-benzenesulfonamide
CID 11304583
Sulfonyl urea 4d
CID 11339017
2-(N-(4-chlorophenyl)sulfonylaminocarbonyl-hydrazinocarbonyl)-benzenesulfonamide
CID 11362509
4-(N-(4-chlorophenyl)sulfonylaminocarbonyl-hydrazinocarbonyl)-benzenesulfonamide
CID 11396353
4-Chloro-N-(4-chlorobenzenesulfonyl)benzamide
CID 837182
N'-Benzoyl-4-fluorobenzenesulfonohydrazide
CID 809426

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(2-fluorophenyl)sulfonylbenzohydrazide?
The IUPAC name of 4-chloro-N'-(2-fluorophenyl)sulfonylbenzohydrazide (CID 8500432) is 4-chloro-N'-(2-fluorophenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 4-chloro-N'-(2-fluorophenyl)sulfonylbenzohydrazide?
The canonical SMILES for 4-chloro-N'-(2-fluorophenyl)sulfonylbenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1F)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-(2-fluorophenyl)sulfonylbenzohydrazide?
The InChIKey is SGIVOAUIBZNREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O3S/c14-10-7-5-9(6-8-10)13(18)16-17-21(19,20)12-4-2-1-3-11(12)15/h1-8,17H,(H,16,18).
What are the key properties of 4-chloro-N'-(2-fluorophenyl)sulfonylbenzohydrazide?
4-chloro-N'-(2-fluorophenyl)sulfonylbenzohydrazide has a molecular weight of 328.75 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(2-fluorophenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 8500432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).