1-(2-fluoro-5-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol

C12H15FN2O5S — CID 114680583

IUPAC1-(2-fluoro-5-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol
SMILESCC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2F)CCC1O
InChIInChI=1S/C12H15FN2O5S/c1-8-7-14(5-4-11(8)16)21(19,20)12-6-9(15(17)18)2-3-10(12)13/h2-3,6,8,11,16H,4-5,7H2,1H3
InChIKeyHDKQPQNHFBOKBG-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.13
Rot. Bonds3

About 1-(2-fluoro-5-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol

1-(2-fluoro-5-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol (PubChem CID 114680583) has the molecular formula C12H15FN2O5S and a molecular weight of 318.33 g/mol. Its IUPAC name is 1-(2-fluoro-5-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-fluoro-5-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol
PubChem CID114680583
Molecular FormulaC12H15FN2O5S
Molecular Weight318.33 g/mol
Exact Mass318.07
IUPAC Name1-(2-fluoro-5-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol
SMILESCC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2F)CCC1O
InChIInChI=1S/C12H15FN2O5S/c1-8-7-14(5-4-11(8)16)21(19,20)12-6-9(15(17)18)2-3-10(12)13/h2-3,6,8,11,16H,4-5,7H2,1H3
InChIKeyHDKQPQNHFBOKBG-UHFFFAOYSA-N
XLogP1.13
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
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'}

Analyze 1-(2-fluoro-5-nitrophenyl)sulfonyl-3-methylpiperidin-4-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

1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680548
1-(2-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol
CID 62916775
1-(2-amino-5-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114677579
1-(3-amino-4-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114677569
1-[2-(methylamino)-5-nitrophenyl]sulfonylpyrrolidin-3-ol
CID 62943650
1-(4-chloro-3-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114678258
1-(2-fluoro-4-nitrophenyl)sulfonyl-3-methylpiperazine
CID 65449190
(3R)-1-(2-fluoro-4-nitrophenyl)sulfonyl-3-methylpiperazine
CID 104975127
1-(2-fluoro-5-nitrophenyl)sulfonyl-1,4-diazepane
CID 43255319
1-(3-amino-5-chloro-2-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 103052245
[1-(2-ethyl-5-nitrophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972276
(3S)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidin-3-ol
CID 79031547

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol?
The IUPAC name of 1-(2-fluoro-5-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol (CID 114680583) is 1-(2-fluoro-5-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-(2-fluoro-5-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol?
The canonical SMILES for 1-(2-fluoro-5-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol is CC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2F)CCC1O.
What is the InChIKey of 1-(2-fluoro-5-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol?
The InChIKey is HDKQPQNHFBOKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O5S/c1-8-7-14(5-4-11(8)16)21(19,20)12-6-9(15(17)18)2-3-10(12)13/h2-3,6,8,11,16H,4-5,7H2,1H3.
What are the key properties of 1-(2-fluoro-5-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol?
1-(2-fluoro-5-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol has a molecular weight of 318.33 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol is sourced from PubChem (CID 114680583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).