[5-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2-fluorophenyl]methanol

C12H13ClFNO3S — CID 114413737

IUPAC[5-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2-fluorophenyl]methanol
SMILESO=S(=O)(c1cc(Cl)cc(CO)c1F)N1CC=CCC1
InChIInChI=1S/C12H13ClFNO3S/c13-10-6-9(8-16)12(14)11(7-10)19(17,18)15-4-2-1-3-5-15/h1-2,6-7,16H,3-5,8H2
InChIKeyUEZYUOFZLPFFMD-UHFFFAOYSA-N
MW305.76 g/mol
LogP1.92
Rot. Bonds3

About [5-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2-fluorophenyl]methanol

[5-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2-fluorophenyl]methanol (PubChem CID 114413737) has the molecular formula C12H13ClFNO3S and a molecular weight of 305.76 g/mol. Its IUPAC name is [5-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2-fluorophenyl]methanol.

Molecular Properties

Compound Name[5-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2-fluorophenyl]methanol
PubChem CID114413737
Molecular FormulaC12H13ClFNO3S
Molecular Weight305.76 g/mol
Exact Mass305.03
IUPAC Name[5-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2-fluorophenyl]methanol
SMILESO=S(=O)(c1cc(Cl)cc(CO)c1F)N1CC=CCC1
InChIInChI=1S/C12H13ClFNO3S/c13-10-6-9(8-16)12(14)11(7-10)19(17,18)15-4-2-1-3-5-15/h1-2,6-7,16H,3-5,8H2
InChIKeyUEZYUOFZLPFFMD-UHFFFAOYSA-N
XLogP1.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [5-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2-fluorophenyl]methanol 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

5-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2-methylbenzoic acid
CID 114408252
1-[5-bromo-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2-fluorophenyl]-N-methylmethanamine
CID 114413990
[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4,5-difluorophenyl]methanamine
CID 105123683
[4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methylfuran-2-yl]methanol
CID 114413744
[5-bromo-2-fluoro-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanol
CID 106317050
[5-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanol
CID 82879692
1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine
CID 141178417
3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-ethylbenzoic acid
CID 114408300
5-chloro-3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-2-fluorobenzoic acid
CID 107216000
5-chloro-2-fluoro-3-(hydroxymethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551650
2-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methoxyphenyl]ethanol
CID 114413752
N-[[4-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)phenyl]methyl]ethanamine
CID 114414130

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2-fluorophenyl]methanol?
The IUPAC name of [5-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2-fluorophenyl]methanol (CID 114413737) is [5-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2-fluorophenyl]methanol.
What is the SMILES notation for [5-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2-fluorophenyl]methanol?
The canonical SMILES for [5-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2-fluorophenyl]methanol is O=S(=O)(c1cc(Cl)cc(CO)c1F)N1CC=CCC1.
What is the InChIKey of [5-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2-fluorophenyl]methanol?
The InChIKey is UEZYUOFZLPFFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO3S/c13-10-6-9(8-16)12(14)11(7-10)19(17,18)15-4-2-1-3-5-15/h1-2,6-7,16H,3-5,8H2.
What are the key properties of [5-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2-fluorophenyl]methanol?
[5-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2-fluorophenyl]methanol has a molecular weight of 305.76 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2-fluorophenyl]methanol is sourced from PubChem (CID 114413737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).