N'-(3-chlorophenyl)sulfonyl-2-fluorobenzohydrazide

C13H10ClFN2O3S — CID 8523891

IUPACN'-(3-chlorophenyl)sulfonyl-2-fluorobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1F
InChIInChI=1S/C13H10ClFN2O3S/c14-9-4-3-5-10(8-9)21(19,20)17-16-13(18)11-6-1-2-7-12(11)15/h1-8,17H,(H,16,18)
InChIKeyOSPDCWDTMCBZSL-UHFFFAOYSA-N
MW328.75 g/mol
LogP2.10
Rot. Bonds4

About N'-(3-chlorophenyl)sulfonyl-2-fluorobenzohydrazide

N'-(3-chlorophenyl)sulfonyl-2-fluorobenzohydrazide (PubChem CID 8523891) has the molecular formula C13H10ClFN2O3S and a molecular weight of 328.75 g/mol. Its IUPAC name is N'-(3-chlorophenyl)sulfonyl-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)sulfonyl-2-fluorobenzohydrazide
PubChem CID8523891
Molecular FormulaC13H10ClFN2O3S
Molecular Weight328.75 g/mol
Exact Mass328.01
IUPAC NameN'-(3-chlorophenyl)sulfonyl-2-fluorobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1F
InChIInChI=1S/C13H10ClFN2O3S/c14-9-4-3-5-10(8-9)21(19,20)17-16-13(18)11-6-1-2-7-12(11)15/h1-8,17H,(H,16,18)
InChIKeyOSPDCWDTMCBZSL-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
N'-(2-fluorobenzenesulfonyl)benzohydrazide
CID 16385222
N'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide
CID 135298708
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
N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 4789601
2,4-dichloro-N-(3-chloro-4-fluorophenyl)sulfonylbenzamide
CID 11176518

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)sulfonyl-2-fluorobenzohydrazide?
The IUPAC name of N'-(3-chlorophenyl)sulfonyl-2-fluorobenzohydrazide (CID 8523891) is N'-(3-chlorophenyl)sulfonyl-2-fluorobenzohydrazide.
What is the SMILES notation for N'-(3-chlorophenyl)sulfonyl-2-fluorobenzohydrazide?
The canonical SMILES for N'-(3-chlorophenyl)sulfonyl-2-fluorobenzohydrazide is O=C(NNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1F.
What is the InChIKey of N'-(3-chlorophenyl)sulfonyl-2-fluorobenzohydrazide?
The InChIKey is OSPDCWDTMCBZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O3S/c14-9-4-3-5-10(8-9)21(19,20)17-16-13(18)11-6-1-2-7-12(11)15/h1-8,17H,(H,16,18).
What are the key properties of N'-(3-chlorophenyl)sulfonyl-2-fluorobenzohydrazide?
N'-(3-chlorophenyl)sulfonyl-2-fluorobenzohydrazide 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 N'-(3-chlorophenyl)sulfonyl-2-fluorobenzohydrazide is sourced from PubChem (CID 8523891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).