[4-fluoro-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanol

C13H16FNO3S — CID 106317053

IUPAC[4-fluoro-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanol
SMILESCC1=CCCN(S(=O)(=O)c2cc(F)ccc2CO)C1
InChIInChI=1S/C13H16FNO3S/c1-10-3-2-6-15(8-10)19(17,18)13-7-12(14)5-4-11(13)9-16/h3-5,7,16H,2,6,8-9H2,1H3
InChIKeyYAJYSPDZCORZFR-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.66
Rot. Bonds3

About [4-fluoro-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanol

[4-fluoro-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanol (PubChem CID 106317053) has the molecular formula C13H16FNO3S and a molecular weight of 285.34 g/mol. Its IUPAC name is [4-fluoro-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanol.

Molecular Properties

Compound Name[4-fluoro-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanol
PubChem CID106317053
Molecular FormulaC13H16FNO3S
Molecular Weight285.34 g/mol
Exact Mass285.08
IUPAC Name[4-fluoro-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanol
SMILESCC1=CCCN(S(=O)(=O)c2cc(F)ccc2CO)C1
InChIInChI=1S/C13H16FNO3S/c1-10-3-2-6-15(8-10)19(17,18)13-7-12(14)5-4-11(13)9-16/h3-5,7,16H,2,6,8-9H2,1H3
InChIKeyYAJYSPDZCORZFR-UHFFFAOYSA-N
XLogP1.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[5-bromo-2-fluoro-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanol
CID 106317050
1-(2-bromo-4-fluorophenyl)sulfonyl-5-methyl-3,6-dihydro-2H-pyridine
CID 114172671
(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methanol
CID 102919669
[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol
CID 103541161
1-(2-fluoro-5-methylsulfonylphenyl)sulfonyl-5-methyl-3,6-dihydro-2H-pyridine
CID 106313643
1-[4-fluoro-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]-N-methylmethanamine
CID 106317194
[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1-benzothiophen-2-yl]methanol
CID 106317031
6-fluoro-2,4-dimethyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 106313380
[2-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-fluorophenyl]methanol
CID 102919788
[5-chloro-2-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
CID 106317121
4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzoic acid
CID 106313430
1-[2-chloro-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]-N-methylmethanamine
CID 106317216

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanol?
The IUPAC name of [4-fluoro-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanol (CID 106317053) is [4-fluoro-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanol.
What is the SMILES notation for [4-fluoro-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanol?
The canonical SMILES for [4-fluoro-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanol is CC1=CCCN(S(=O)(=O)c2cc(F)ccc2CO)C1.
What is the InChIKey of [4-fluoro-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanol?
The InChIKey is YAJYSPDZCORZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3S/c1-10-3-2-6-15(8-10)19(17,18)13-7-12(14)5-4-11(13)9-16/h3-5,7,16H,2,6,8-9H2,1H3.
What are the key properties of [4-fluoro-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanol?
[4-fluoro-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanol has a molecular weight of 285.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanol is sourced from PubChem (CID 106317053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).