5-(4-nitrophenyl)sulfonylpentan-1-ol

C11H15NO5S — CID 54361734

IUPAC5-(4-nitrophenyl)sulfonylpentan-1-ol
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)CCCCCO)cc1
InChIInChI=1S/C11H15NO5S/c13-8-2-1-3-9-18(16,17)11-6-4-10(5-7-11)12(14)15/h4-7,13H,1-3,8-9H2
InChIKeyJODWQBCOQOQUSY-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.53
Rot. Bonds7

About 5-(4-nitrophenyl)sulfonylpentan-1-ol

5-(4-nitrophenyl)sulfonylpentan-1-ol (PubChem CID 54361734) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-(4-nitrophenyl)sulfonylpentan-1-ol.

Molecular Properties

Compound Name5-(4-nitrophenyl)sulfonylpentan-1-ol
PubChem CID54361734
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name5-(4-nitrophenyl)sulfonylpentan-1-ol
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)CCCCCO)cc1
InChIInChI=1S/C11H15NO5S/c13-8-2-1-3-9-18(16,17)11-6-4-10(5-7-11)12(14)15/h4-7,13H,1-3,8-9H2
InChIKeyJODWQBCOQOQUSY-UHFFFAOYSA-N
XLogP1.53
TPSA97.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(4-nitrophenyl)sulfonylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-nitrophenyl)sulfonylhexan-1-ol
CID 178017887
1-(3-bromopropylsulfonyl)-4-nitrobenzene
CID 43439252
1-(3-azidopropylsulfonyl)-4-nitrobenzene
CID 59154680
2-[4-(4-nitrophenyl)sulfonylbutyl]isoindole-1,3-dione
CID 69181676
4-methyl-3-methylidene-7-(4-nitrophenyl)sulfonylhept-1-en-2-amine
CID 146253578
7-(N-(4-nitrophenyl)anilino)heptan-1-ol
CID 15706930
4-(4-nitrophenyl)sulfonylbutan-2-amine
CID 64645518
5-(2,4-dinitrophenyl)pentan-1-ol
CID 86720802
2-(4-nitrophenyl)sulfonylethyl carbamoperoxoate
CID 87222562
2-hydroxyethyl 4-nitrobenzenesulfonate
CID 87287801
12-(4-nitrophenyl)tridecan-1-ol
CID 173362113
4-nitrobenzenesulfonic acid
CID 160847002

Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrophenyl)sulfonylpentan-1-ol?
The IUPAC name of 5-(4-nitrophenyl)sulfonylpentan-1-ol (CID 54361734) is 5-(4-nitrophenyl)sulfonylpentan-1-ol.
What is the SMILES notation for 5-(4-nitrophenyl)sulfonylpentan-1-ol?
The canonical SMILES for 5-(4-nitrophenyl)sulfonylpentan-1-ol is O=[N+]([O-])c1ccc(S(=O)(=O)CCCCCO)cc1.
What is the InChIKey of 5-(4-nitrophenyl)sulfonylpentan-1-ol?
The InChIKey is JODWQBCOQOQUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c13-8-2-1-3-9-18(16,17)11-6-4-10(5-7-11)12(14)15/h4-7,13H,1-3,8-9H2.
What are the key properties of 5-(4-nitrophenyl)sulfonylpentan-1-ol?
5-(4-nitrophenyl)sulfonylpentan-1-ol has a molecular weight of 273.31 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenyl)sulfonylpentan-1-ol is sourced from PubChem (CID 54361734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).