2-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]propanehydrazide

C16H17ClN2OS — CID 105352324

IUPAC2-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2OS/c1-11(16(20)19-18)13-4-2-12(3-5-13)10-21-15-8-6-14(17)7-9-15/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyILTAFBMVBRJKFL-UHFFFAOYSA-N
MW320.85 g/mol
LogP3.73
Rot. Bonds5

About 2-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]propanehydrazide

2-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]propanehydrazide (PubChem CID 105352324) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]propanehydrazide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]propanehydrazide
PubChem CID105352324
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name2-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2OS/c1-11(16(20)19-18)13-4-2-12(3-5-13)10-21-15-8-6-14(17)7-9-15/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyILTAFBMVBRJKFL-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanehydrazide
CID 105352546
2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide
CID 105352360
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7948805
4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide
CID 27648094
N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide
CID 71199638
2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]propanehydrazide
CID 105352320
2-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]propanehydrazide
CID 105352433
2-[4-(methoxymethyl)phenyl]propanehydrazide
CID 105351367
(2S)-2-(4-chlorophenyl)-N-methylpropanamide
CID 143748208
1-chloro-4-[(4-methylphenyl)sulfanylmethyl]benzene
CID 11701538
(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]butanamide
CID 28635750
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
CID 7841089

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]propanehydrazide?
The IUPAC name of 2-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]propanehydrazide (CID 105352324) is 2-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]propanehydrazide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]propanehydrazide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]propanehydrazide is CC(C(=O)NN)c1ccc(CSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]propanehydrazide?
The InChIKey is ILTAFBMVBRJKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-11(16(20)19-18)13-4-2-12(3-5-13)10-21-15-8-6-14(17)7-9-15/h2-9,11H,10,18H2,1H3,(H,19,20).
What are the key properties of 2-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]propanehydrazide?
2-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]propanehydrazide has a molecular weight of 320.85 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]propanehydrazide is sourced from PubChem (CID 105352324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).