[3-fluoro-4-(1,4-oxazepan-4-ylsulfonyl)phenyl]methanol

C12H16FNO4S — CID 79187528

IUPAC[3-fluoro-4-(1,4-oxazepan-4-ylsulfonyl)phenyl]methanol
SMILESO=S(=O)(c1ccc(CO)cc1F)N1CCCOCC1
InChIInChI=1S/C12H16FNO4S/c13-11-8-10(9-15)2-3-12(11)19(16,17)14-4-1-6-18-7-5-14/h2-3,8,15H,1,4-7,9H2
InChIKeyOBARARFIPBUEPH-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.73
Rot. Bonds3

About [3-fluoro-4-(1,4-oxazepan-4-ylsulfonyl)phenyl]methanol

[3-fluoro-4-(1,4-oxazepan-4-ylsulfonyl)phenyl]methanol (PubChem CID 79187528) has the molecular formula C12H16FNO4S and a molecular weight of 289.33 g/mol. Its IUPAC name is [3-fluoro-4-(1,4-oxazepan-4-ylsulfonyl)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-(1,4-oxazepan-4-ylsulfonyl)phenyl]methanol
PubChem CID79187528
Molecular FormulaC12H16FNO4S
Molecular Weight289.33 g/mol
Exact Mass289.08
IUPAC Name[3-fluoro-4-(1,4-oxazepan-4-ylsulfonyl)phenyl]methanol
SMILESO=S(=O)(c1ccc(CO)cc1F)N1CCCOCC1
InChIInChI=1S/C12H16FNO4S/c13-11-8-10(9-15)2-3-12(11)19(16,17)14-4-1-6-18-7-5-14/h2-3,8,15H,1,4-7,9H2
InChIKeyOBARARFIPBUEPH-UHFFFAOYSA-N
XLogP0.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-fluoro-4-(1,4-oxazepan-4-ylsulfonyl)phenyl]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

1-(3-fluoro-4-morpholin-4-ylsulfonylphenyl)-N-methylmethanamine
CID 79187601
[4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol
CID 79187593
[3-fluoro-4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol
CID 79187452
(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methanol
CID 102919669
(3-fluoro-4-morpholin-4-ylsulfonylphenyl)boronic acid
CID 91759416
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol
CID 104961473
1-[3,4-difluoro-5-(1,4-oxazepan-4-ylsulfonyl)phenyl]-N-methylmethanamine
CID 105121814
[4-[3-(dimethylamino)piperidin-1-yl]sulfonyl-3-fluorophenyl]methanol
CID 79178793
[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3-fluorophenyl]methanol
CID 79935876
[4-(azocan-1-ylsulfonyl)-3-methoxyphenyl]methanol
CID 102703936
2-fluoro-5-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 62988361
[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol
CID 79186814

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(1,4-oxazepan-4-ylsulfonyl)phenyl]methanol?
The IUPAC name of [3-fluoro-4-(1,4-oxazepan-4-ylsulfonyl)phenyl]methanol (CID 79187528) is [3-fluoro-4-(1,4-oxazepan-4-ylsulfonyl)phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-(1,4-oxazepan-4-ylsulfonyl)phenyl]methanol?
The canonical SMILES for [3-fluoro-4-(1,4-oxazepan-4-ylsulfonyl)phenyl]methanol is O=S(=O)(c1ccc(CO)cc1F)N1CCCOCC1.
What is the InChIKey of [3-fluoro-4-(1,4-oxazepan-4-ylsulfonyl)phenyl]methanol?
The InChIKey is OBARARFIPBUEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4S/c13-11-8-10(9-15)2-3-12(11)19(16,17)14-4-1-6-18-7-5-14/h2-3,8,15H,1,4-7,9H2.
What are the key properties of [3-fluoro-4-(1,4-oxazepan-4-ylsulfonyl)phenyl]methanol?
[3-fluoro-4-(1,4-oxazepan-4-ylsulfonyl)phenyl]methanol has a molecular weight of 289.33 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(1,4-oxazepan-4-ylsulfonyl)phenyl]methanol is sourced from PubChem (CID 79187528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).