2-hydroxy-N-(2-methylsulfanylcyclopentyl)-3-nitrobenzamide

C13H16N2O4S — CID 103800337

IUPAC2-hydroxy-N-(2-methylsulfanylcyclopentyl)-3-nitrobenzamide
SMILESCSC1CCCC1NC(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C13H16N2O4S/c1-20-11-7-3-5-9(11)14-13(17)8-4-2-6-10(12(8)16)15(18)19/h2,4,6,9,11,16H,3,5,7H2,1H3,(H,14,17)
InChIKeyPFDSUTMIOAXCGV-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.31
Rot. Bonds4

About 2-hydroxy-N-(2-methylsulfanylcyclopentyl)-3-nitrobenzamide

2-hydroxy-N-(2-methylsulfanylcyclopentyl)-3-nitrobenzamide (PubChem CID 103800337) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-hydroxy-N-(2-methylsulfanylcyclopentyl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-methylsulfanylcyclopentyl)-3-nitrobenzamide
PubChem CID103800337
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name2-hydroxy-N-(2-methylsulfanylcyclopentyl)-3-nitrobenzamide
SMILESCSC1CCCC1NC(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C13H16N2O4S/c1-20-11-7-3-5-9(11)14-13(17)8-4-2-6-10(12(8)16)15(18)19/h2,4,6,9,11,16H,3,5,7H2,1H3,(H,14,17)
InChIKeyPFDSUTMIOAXCGV-UHFFFAOYSA-N
XLogP2.31
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.31
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

2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzamide
CID 103855203
3-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)benzamide
CID 103708323
N-(2-bromocyclopentyl)-2-nitrobenzamide
CID 80663029
N-[2-(hydroxymethyl)cyclopentyl]-2-nitrobenzamide
CID 103751348
2-hydroxy-N-(1-methylpyrrolidin-3-yl)-3-nitrobenzamide
CID 103800110
2-methyl-N-[(1S,2R)-2-methylcyclohexyl]-3-nitrobenzamide
CID 2235548
2-hydroxy-3-nitrobenzohydrazide
CID 11367606
CID 58418423
CID 58418423
2-amino-N-(2-methoxycyclopentyl)-3-nitrobenzamide
CID 115694309
2-hydroxy-N-[(2-methylcyclohexyl)methyl]-3-nitrobenzamide
CID 102741652
N-(2-ethylsulfanylcyclopentyl)-3-hydroxy-4-nitrobenzamide
CID 103747794
2-hydroxy-N-(2-methylsulfanylpropyl)-3-nitrobenzamide
CID 113322559

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-methylsulfanylcyclopentyl)-3-nitrobenzamide?
The IUPAC name of 2-hydroxy-N-(2-methylsulfanylcyclopentyl)-3-nitrobenzamide (CID 103800337) is 2-hydroxy-N-(2-methylsulfanylcyclopentyl)-3-nitrobenzamide.
What is the SMILES notation for 2-hydroxy-N-(2-methylsulfanylcyclopentyl)-3-nitrobenzamide?
The canonical SMILES for 2-hydroxy-N-(2-methylsulfanylcyclopentyl)-3-nitrobenzamide is CSC1CCCC1NC(=O)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 2-hydroxy-N-(2-methylsulfanylcyclopentyl)-3-nitrobenzamide?
The InChIKey is PFDSUTMIOAXCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-20-11-7-3-5-9(11)14-13(17)8-4-2-6-10(12(8)16)15(18)19/h2,4,6,9,11,16H,3,5,7H2,1H3,(H,14,17).
What are the key properties of 2-hydroxy-N-(2-methylsulfanylcyclopentyl)-3-nitrobenzamide?
2-hydroxy-N-(2-methylsulfanylcyclopentyl)-3-nitrobenzamide has a molecular weight of 296.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-methylsulfanylcyclopentyl)-3-nitrobenzamide is sourced from PubChem (CID 103800337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).