3-chloro-N'-[3-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide

C16H14Cl2N2O2S — CID 2109098

IUPAC3-chloro-N'-[3-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide
SMILESO=C(CCSc1ccc(Cl)cc1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H14Cl2N2O2S/c17-12-4-6-14(7-5-12)23-9-8-15(21)19-20-16(22)11-2-1-3-13(18)10-11/h1-7,10H,8-9H2,(H,19,21)(H,20,22)
InChIKeyLZEXEPBRMMAVEP-UHFFFAOYSA-N
MW369.27 g/mol
LogP3.94
Rot. Bonds5

About 3-chloro-N'-[3-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide

3-chloro-N'-[3-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide (PubChem CID 2109098) has the molecular formula C16H14Cl2N2O2S and a molecular weight of 369.27 g/mol. Its IUPAC name is 3-chloro-N'-[3-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[3-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide
PubChem CID2109098
Molecular FormulaC16H14Cl2N2O2S
Molecular Weight369.27 g/mol
Exact Mass368.02
IUPAC Name3-chloro-N'-[3-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide
SMILESO=C(CCSc1ccc(Cl)cc1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H14Cl2N2O2S/c17-12-4-6-14(7-5-12)23-9-8-15(21)19-20-16(22)11-2-1-3-13(18)10-11/h1-7,10H,8-9H2,(H,19,21)(H,20,22)
InChIKeyLZEXEPBRMMAVEP-UHFFFAOYSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 53.94
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

2,5-dichloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
CID 7910627
N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide
CID 30043506
3-chloro-N'-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide
CID 46689686
3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-N-cyclopropylbenzamide
CID 26993661
3-chloro-N'-[2-(4-phenylphenyl)acetyl]benzohydrazide
CID 1367057
N'-[2-(4-chlorophenyl)sulfanylacetyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide
CID 55787522
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
CID 3361883
1-(2,5-dichlorophenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]urea
CID 60609405
(2R)-N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]oxolane-2-carboxamide
CID 25470546
N'-[3-(3,4-difluorophenyl)sulfanylpropanoyl]-4-nitrobenzohydrazide
CID 9036506
3-chloro-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide
CID 9475645
N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide
CID 965991

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[3-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide?
The IUPAC name of 3-chloro-N'-[3-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide (CID 2109098) is 3-chloro-N'-[3-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide.
What is the SMILES notation for 3-chloro-N'-[3-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide?
The canonical SMILES for 3-chloro-N'-[3-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide is O=C(CCSc1ccc(Cl)cc1)NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-[3-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide?
The InChIKey is LZEXEPBRMMAVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2S/c17-12-4-6-14(7-5-12)23-9-8-15(21)19-20-16(22)11-2-1-3-13(18)10-11/h1-7,10H,8-9H2,(H,19,21)(H,20,22).
What are the key properties of 3-chloro-N'-[3-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide?
3-chloro-N'-[3-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide has a molecular weight of 369.27 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[3-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide is sourced from PubChem (CID 2109098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).