2-(4-chlorophenyl)sulfanyl-N'-thiophen-2-ylsulfonylacetohydrazide

C12H11ClN2O3S3 — CID 8616307

IUPAC2-(4-chlorophenyl)sulfanyl-N'-thiophen-2-ylsulfonylacetohydrazide
SMILESO=C(CSc1ccc(Cl)cc1)NNS(=O)(=O)c1cccs1
InChIInChI=1S/C12H11ClN2O3S3/c13-9-3-5-10(6-4-9)20-8-11(16)14-15-21(17,18)12-2-1-7-19-12/h1-7,15H,8H2,(H,14,16)
InChIKeyWRCIZKFMXVGNAJ-UHFFFAOYSA-N
MW362.89 g/mol
LogP2.50
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N'-thiophen-2-ylsulfonylacetohydrazide

2-(4-chlorophenyl)sulfanyl-N'-thiophen-2-ylsulfonylacetohydrazide (PubChem CID 8616307) has the molecular formula C12H11ClN2O3S3 and a molecular weight of 362.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N'-thiophen-2-ylsulfonylacetohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N'-thiophen-2-ylsulfonylacetohydrazide
PubChem CID8616307
Molecular FormulaC12H11ClN2O3S3
Molecular Weight362.89 g/mol
Exact Mass361.96
IUPAC Name2-(4-chlorophenyl)sulfanyl-N'-thiophen-2-ylsulfonylacetohydrazide
SMILESO=C(CSc1ccc(Cl)cc1)NNS(=O)(=O)c1cccs1
InChIInChI=1S/C12H11ClN2O3S3/c13-9-3-5-10(6-4-9)20-8-11(16)14-15-21(17,18)12-2-1-7-19-12/h1-7,15H,8H2,(H,14,16)
InChIKeyWRCIZKFMXVGNAJ-UHFFFAOYSA-N
XLogP2.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.89
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N'-thiophen-2-ylsulfonylacetohydrazide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N'-thiophen-2-ylsulfonylacetohydrazide (CID 8616307) is 2-(4-chlorophenyl)sulfanyl-N'-thiophen-2-ylsulfonylacetohydrazide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N'-thiophen-2-ylsulfonylacetohydrazide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N'-thiophen-2-ylsulfonylacetohydrazide is O=C(CSc1ccc(Cl)cc1)NNS(=O)(=O)c1cccs1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N'-thiophen-2-ylsulfonylacetohydrazide?
The InChIKey is WRCIZKFMXVGNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S3/c13-9-3-5-10(6-4-9)20-8-11(16)14-15-21(17,18)12-2-1-7-19-12/h1-7,15H,8H2,(H,14,16).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N'-thiophen-2-ylsulfonylacetohydrazide?
2-(4-chlorophenyl)sulfanyl-N'-thiophen-2-ylsulfonylacetohydrazide has a molecular weight of 362.89 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N'-thiophen-2-ylsulfonylacetohydrazide is sourced from PubChem (CID 8616307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).