N'-(benzenesulfonyl)-3-chloro-2-fluoro-5-thiophen-2-ylbenzohydrazide

C17H12ClFN2O3S2 — CID 135298757

IUPACN'-(benzenesulfonyl)-3-chloro-2-fluoro-5-thiophen-2-ylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cc(-c2cccs2)cc(Cl)c1F
InChIInChI=1S/C17H12ClFN2O3S2/c18-14-10-11(15-7-4-8-25-15)9-13(16(14)19)17(22)20-21-26(23,24)12-5-2-1-3-6-12/h1-10,21H,(H,20,22)
InChIKeyLPBUKGKSXCIALA-UHFFFAOYSA-N
MW410.88 g/mol
LogP3.83
Rot. Bonds5

About N'-(benzenesulfonyl)-3-chloro-2-fluoro-5-thiophen-2-ylbenzohydrazide

N'-(benzenesulfonyl)-3-chloro-2-fluoro-5-thiophen-2-ylbenzohydrazide (PubChem CID 135298757) has the molecular formula C17H12ClFN2O3S2 and a molecular weight of 410.88 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-3-chloro-2-fluoro-5-thiophen-2-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-3-chloro-2-fluoro-5-thiophen-2-ylbenzohydrazide
PubChem CID135298757
Molecular FormulaC17H12ClFN2O3S2
Molecular Weight410.88 g/mol
Exact Mass410.00
IUPAC NameN'-(benzenesulfonyl)-3-chloro-2-fluoro-5-thiophen-2-ylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cc(-c2cccs2)cc(Cl)c1F
InChIInChI=1S/C17H12ClFN2O3S2/c18-14-10-11(15-7-4-8-25-15)9-13(16(14)19)17(22)20-21-26(23,24)12-5-2-1-3-6-12/h1-10,21H,(H,20,22)
InChIKeyLPBUKGKSXCIALA-UHFFFAOYSA-N
XLogP3.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide
CID 7918359
3-chloro-N'-(2-fluorophenyl)sulfonyl-5-thiophen-2-ylbenzohydrazide
CID 124132118
N'-(benzenesulfonyl)-3-(3-chlorophenyl)benzohydrazide
CID 124132157
N'-(2-fluorophenyl)sulfonyl-3-thiophen-2-ylbenzohydrazide
CID 124132176
N'-(benzenesulfonyl)-3-thiophen-2-ylbenzohydrazide
CID 124132186
N'-(benzenesulfonyl)-3-chloro-2-fluoro-5-phenylbenzohydrazide
CID 124132194
N'-(benzenesulfonyl)-3-chloro-2-fluorobenzohydrazide
CID 134581202
N'-(benzenesulfonyl)-3-thiophen-3-ylbenzohydrazide
CID 135298548
N'-(2-fluorophenyl)sulfonyl-3-thiophen-3-ylbenzohydrazide
CID 135298604
3-chloro-4-fluoro-N-[[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide
CID 4797659
4-Chloro-N-{4-[N''-(thiophene-2-carbonyl)-hydrazinocarbonyl]-cyclohexylmethyl}-benzenesulfonamide
CID 44370215
5-chloro-2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-phenylbenzohydrazide
CID 155569125

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-3-chloro-2-fluoro-5-thiophen-2-ylbenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-3-chloro-2-fluoro-5-thiophen-2-ylbenzohydrazide (CID 135298757) is N'-(benzenesulfonyl)-3-chloro-2-fluoro-5-thiophen-2-ylbenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-3-chloro-2-fluoro-5-thiophen-2-ylbenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-3-chloro-2-fluoro-5-thiophen-2-ylbenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1cc(-c2cccs2)cc(Cl)c1F.
What is the InChIKey of N'-(benzenesulfonyl)-3-chloro-2-fluoro-5-thiophen-2-ylbenzohydrazide?
The InChIKey is LPBUKGKSXCIALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O3S2/c18-14-10-11(15-7-4-8-25-15)9-13(16(14)19)17(22)20-21-26(23,24)12-5-2-1-3-6-12/h1-10,21H,(H,20,22).
What are the key properties of N'-(benzenesulfonyl)-3-chloro-2-fluoro-5-thiophen-2-ylbenzohydrazide?
N'-(benzenesulfonyl)-3-chloro-2-fluoro-5-thiophen-2-ylbenzohydrazide has a molecular weight of 410.88 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-3-chloro-2-fluoro-5-thiophen-2-ylbenzohydrazide is sourced from PubChem (CID 135298757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).