3-hydroxy-N'-[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]benzohydrazide

C16H15N3O5S — CID 40953039

IUPAC3-hydroxy-N'-[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]benzohydrazide
SMILESC[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1cccc(O)c1
InChIInChI=1S/C16H15N3O5S/c1-10(25-14-7-5-12(6-8-14)19(23)24)15(21)17-18-16(22)11-3-2-4-13(20)9-11/h2-10,20H,1H3,(H,17,21)(H,18,22)/t10-/m1/s1
InChIKeyFJIJAUOGUQYXRM-SNVBAGLBSA-N
MW361.38 g/mol
LogP2.24
Rot. Bonds5

About 3-hydroxy-N'-[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]benzohydrazide

3-hydroxy-N'-[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]benzohydrazide (PubChem CID 40953039) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is 3-hydroxy-N'-[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]benzohydrazide.

Molecular Properties

Compound Name3-hydroxy-N'-[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]benzohydrazide
PubChem CID40953039
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC Name3-hydroxy-N'-[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]benzohydrazide
SMILESC[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1cccc(O)c1
InChIInChI=1S/C16H15N3O5S/c1-10(25-14-7-5-12(6-8-14)19(23)24)15(21)17-18-16(22)11-3-2-4-13(20)9-11/h2-10,20H,1H3,(H,17,21)(H,18,22)/t10-/m1/s1
InChIKeyFJIJAUOGUQYXRM-SNVBAGLBSA-N
XLogP2.24
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-nitro-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide
CID 9333588
3-hydroxy-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide
CID 41141971
4-bromo-1-methyl-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]pyrrole-2-carbohydrazide
CID 55451726
N'-(2-bromopropanoyl)-3-nitrobenzohydrazide
CID 3797916
N-[3-[2-(4-nitrophenyl)sulfanylpropanoylamino]phenyl]pyridine-3-carboxamide
CID 46424053
N-[4-[1-(4-iodoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-nitrobenzamide
CID 21169434
4-[2-[4-[(3-nitrobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid
CID 23096033
3-hydroxy-N'-(4-nitrophenyl)sulfonylbenzohydrazide
CID 1129573
N-[4-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-nitrobenzamide
CID 22782384
N'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
CID 8952897
2-(4-fluorophenoxy)-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]propanehydrazide
CID 55376670
N-[1-(3-bromophenyl)ethyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 55576460

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N'-[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]benzohydrazide?
The IUPAC name of 3-hydroxy-N'-[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]benzohydrazide (CID 40953039) is 3-hydroxy-N'-[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]benzohydrazide.
What is the SMILES notation for 3-hydroxy-N'-[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]benzohydrazide?
The canonical SMILES for 3-hydroxy-N'-[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]benzohydrazide is C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N'-[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]benzohydrazide?
The InChIKey is FJIJAUOGUQYXRM-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15N3O5S/c1-10(25-14-7-5-12(6-8-14)19(23)24)15(21)17-18-16(22)11-3-2-4-13(20)9-11/h2-10,20H,1H3,(H,17,21)(H,18,22)/t10-/m1/s1.
What are the key properties of 3-hydroxy-N'-[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]benzohydrazide?
3-hydroxy-N'-[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]benzohydrazide has a molecular weight of 361.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N'-[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]benzohydrazide is sourced from PubChem (CID 40953039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).