2-(4-chlorophenyl)sulfanyl-N'-(2,5-difluorophenyl)sulfonylacetohydrazide

C14H11ClF2N2O3S2 — CID 9237149

IUPAC2-(4-chlorophenyl)sulfanyl-N'-(2,5-difluorophenyl)sulfonylacetohydrazide
SMILESO=C(CSc1ccc(Cl)cc1)NNS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H11ClF2N2O3S2/c15-9-1-4-11(5-2-9)23-8-14(20)18-19-24(21,22)13-7-10(16)3-6-12(13)17/h1-7,19H,8H2,(H,18,20)
InChIKeyRMZGDTZPNPKYOH-UHFFFAOYSA-N
MW392.84 g/mol
LogP2.72
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N'-(2,5-difluorophenyl)sulfonylacetohydrazide

2-(4-chlorophenyl)sulfanyl-N'-(2,5-difluorophenyl)sulfonylacetohydrazide (PubChem CID 9237149) has the molecular formula C14H11ClF2N2O3S2 and a molecular weight of 392.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N'-(2,5-difluorophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N'-(2,5-difluorophenyl)sulfonylacetohydrazide
PubChem CID9237149
Molecular FormulaC14H11ClF2N2O3S2
Molecular Weight392.84 g/mol
Exact Mass391.99
IUPAC Name2-(4-chlorophenyl)sulfanyl-N'-(2,5-difluorophenyl)sulfonylacetohydrazide
SMILESO=C(CSc1ccc(Cl)cc1)NNS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H11ClF2N2O3S2/c15-9-1-4-11(5-2-9)23-8-14(20)18-19-24(21,22)13-7-10(16)3-6-12(13)17/h1-7,19H,8H2,(H,18,20)
InChIKeyRMZGDTZPNPKYOH-UHFFFAOYSA-N
XLogP2.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 52.72
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

2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
N'-(2,5-difluorophenyl)sulfonyl-2-(2-fluorophenoxy)acetohydrazide
CID 9236867
2-(4-chlorophenyl)sulfanyl-N-(trifluoromethylsulfonyl)acetamide
CID 154309569
2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 110888960
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 110885410
N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide
CID 7970067
N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 29283740
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide
CID 9121575
2-(4-chlorophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
CID 4646464
1-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-(2,4,6-trichlorophenyl)urea
CID 134102372
2,5-dichloro-N-[4-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]thiophene-3-sulfonamide
CID 4847454
4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide
CID 134059340

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N'-(2,5-difluorophenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N'-(2,5-difluorophenyl)sulfonylacetohydrazide (CID 9237149) is 2-(4-chlorophenyl)sulfanyl-N'-(2,5-difluorophenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N'-(2,5-difluorophenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N'-(2,5-difluorophenyl)sulfonylacetohydrazide is O=C(CSc1ccc(Cl)cc1)NNS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N'-(2,5-difluorophenyl)sulfonylacetohydrazide?
The InChIKey is RMZGDTZPNPKYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O3S2/c15-9-1-4-11(5-2-9)23-8-14(20)18-19-24(21,22)13-7-10(16)3-6-12(13)17/h1-7,19H,8H2,(H,18,20).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N'-(2,5-difluorophenyl)sulfonylacetohydrazide?
2-(4-chlorophenyl)sulfanyl-N'-(2,5-difluorophenyl)sulfonylacetohydrazide has a molecular weight of 392.84 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N'-(2,5-difluorophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 9237149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).