3-nitro-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide

C16H15N3O4S — CID 9333588

IUPAC3-nitro-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide
SMILESC[C@@H](Sc1ccccc1)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H15N3O4S/c1-11(24-14-8-3-2-4-9-14)15(20)17-18-16(21)12-6-5-7-13(10-12)19(22)23/h2-11H,1H3,(H,17,20)(H,18,21)/t11-/m1/s1
InChIKeyDGOJUZKDZOTCJJ-LLVKDONJSA-N
MW345.38 g/mol
LogP2.54
Rot. Bonds5

About 3-nitro-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide

3-nitro-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide (PubChem CID 9333588) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 3-nitro-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide.

Molecular Properties

Compound Name3-nitro-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide
PubChem CID9333588
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name3-nitro-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide
SMILESC[C@@H](Sc1ccccc1)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H15N3O4S/c1-11(24-14-8-3-2-4-9-14)15(20)17-18-16(21)12-6-5-7-13(10-12)19(22)23/h2-11H,1H3,(H,17,20)(H,18,21)/t11-/m1/s1
InChIKeyDGOJUZKDZOTCJJ-LLVKDONJSA-N
XLogP2.54
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N'-[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]benzohydrazide
CID 40953039
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CID 3797916
4-[2-[4-[(3-nitrobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid
CID 23096033
N-[4-[1-(4-iodoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-nitrobenzamide
CID 21169434
N-[4-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-nitrobenzamide
CID 22782384
N-[3-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-nitrobenzamide
CID 18905001
N'-(3-methylbutanoyl)-3-nitrobenzohydrazide
CID 9333812
N-[3-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-nitrobenzamide
CID 18904994
N'-[(2S)-2-phenylsulfanylpropanoyl]pyridine-4-carbohydrazide
CID 7678001
N'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
CID 8952897
N'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 9297964
N'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide
CID 4932285

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide?
The IUPAC name of 3-nitro-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide (CID 9333588) is 3-nitro-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide.
What is the SMILES notation for 3-nitro-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide?
The canonical SMILES for 3-nitro-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide is C[C@@H](Sc1ccccc1)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide?
The InChIKey is DGOJUZKDZOTCJJ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-11(24-14-8-3-2-4-9-14)15(20)17-18-16(21)12-6-5-7-13(10-12)19(22)23/h2-11H,1H3,(H,17,20)(H,18,21)/t11-/m1/s1.
What are the key properties of 3-nitro-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide?
3-nitro-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide has a molecular weight of 345.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide is sourced from PubChem (CID 9333588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).