3-(3-cyanophenyl)-N'-phenylsulfanylbenzohydrazide

C20H15N3OS — CID 155393060

IUPAC3-(3-cyanophenyl)-N'-phenylsulfanylbenzohydrazide
SMILESN#Cc1cccc(-c2cccc(C(=O)NNSc3ccccc3)c2)c1
InChIInChI=1S/C20H15N3OS/c21-14-15-6-4-7-16(12-15)17-8-5-9-18(13-17)20(24)22-23-25-19-10-2-1-3-11-19/h1-13,23H,(H,22,24)
InChIKeyHEUOTMVTPVIDMU-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.17
Rot. Bonds5

About 3-(3-cyanophenyl)-N'-phenylsulfanylbenzohydrazide

3-(3-cyanophenyl)-N'-phenylsulfanylbenzohydrazide (PubChem CID 155393060) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 3-(3-cyanophenyl)-N'-phenylsulfanylbenzohydrazide.

Molecular Properties

Compound Name3-(3-cyanophenyl)-N'-phenylsulfanylbenzohydrazide
PubChem CID155393060
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name3-(3-cyanophenyl)-N'-phenylsulfanylbenzohydrazide
SMILESN#Cc1cccc(-c2cccc(C(=O)NNSc3ccccc3)c2)c1
InChIInChI=1S/C20H15N3OS/c21-14-15-6-4-7-16(12-15)17-8-5-9-18(13-17)20(24)22-23-25-19-10-2-1-3-11-19/h1-13,23H,(H,22,24)
InChIKeyHEUOTMVTPVIDMU-UHFFFAOYSA-N
XLogP4.17
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N'-methyl-3-phenylbenzohydrazide
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3-cyano-N-(2-iodophenyl)benzamide
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3-(3-cyanophenyl)-5-methoxycarbonylbenzoic acid
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3-cyano-N-(2-methyl-5-phenylphenyl)benzamide;2-methyl-5-phenylaniline
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3-(azanylidyne(113C)methyl)(13C)benzoic acid
CID 76973042
3-cyano-N-[(4-phenylphenyl)carbamothioyl]benzamide
CID 87470907
3-cyano-N-(5-phenyl-3-pyridinyl)benzamide
CID 110713713
1-[(3-cyanobenzoyl)amino]-3-ethylthiourea
CID 7977611
1-tert-butyl-3-[(3-cyanobenzoyl)amino]thiourea
CID 9425663
5-chloro-N'-(3-cyanophenyl)sulfanyl-1-benzofuran-2-carbohydrazide
CID 142129816

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanophenyl)-N'-phenylsulfanylbenzohydrazide?
The IUPAC name of 3-(3-cyanophenyl)-N'-phenylsulfanylbenzohydrazide (CID 155393060) is 3-(3-cyanophenyl)-N'-phenylsulfanylbenzohydrazide.
What is the SMILES notation for 3-(3-cyanophenyl)-N'-phenylsulfanylbenzohydrazide?
The canonical SMILES for 3-(3-cyanophenyl)-N'-phenylsulfanylbenzohydrazide is N#Cc1cccc(-c2cccc(C(=O)NNSc3ccccc3)c2)c1.
What is the InChIKey of 3-(3-cyanophenyl)-N'-phenylsulfanylbenzohydrazide?
The InChIKey is HEUOTMVTPVIDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c21-14-15-6-4-7-16(12-15)17-8-5-9-18(13-17)20(24)22-23-25-19-10-2-1-3-11-19/h1-13,23H,(H,22,24).
What are the key properties of 3-(3-cyanophenyl)-N'-phenylsulfanylbenzohydrazide?
3-(3-cyanophenyl)-N'-phenylsulfanylbenzohydrazide has a molecular weight of 345.43 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanophenyl)-N'-phenylsulfanylbenzohydrazide is sourced from PubChem (CID 155393060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).