(1R,4R)-2-(benzenesulfonyl)-4-fluorocyclohex-2-en-1-ol

C12H13FO3S — CID 11807281

IUPAC(1R,4R)-2-(benzenesulfonyl)-4-fluorocyclohex-2-en-1-ol
SMILESO=S(=O)(C1=C[C@H](F)CC[C@H]1O)c1ccccc1
InChIInChI=1S/C12H13FO3S/c13-9-6-7-11(14)12(8-9)17(15,16)10-4-2-1-3-5-10/h1-5,8-9,11,14H,6-7H2/t9-,11-/m1/s1
InChIKeyIVMGSLURUISWSJ-MWLCHTKSSA-N
MW256.30 g/mol
LogP1.84
Rot. Bonds2

About (1R,4R)-2-(benzenesulfonyl)-4-fluorocyclohex-2-en-1-ol

(1R,4R)-2-(benzenesulfonyl)-4-fluorocyclohex-2-en-1-ol (PubChem CID 11807281) has the molecular formula C12H13FO3S and a molecular weight of 256.30 g/mol. Its IUPAC name is (1R,4R)-2-(benzenesulfonyl)-4-fluorocyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,4R)-2-(benzenesulfonyl)-4-fluorocyclohex-2-en-1-ol
PubChem CID11807281
Molecular FormulaC12H13FO3S
Molecular Weight256.30 g/mol
Exact Mass256.06
IUPAC Name(1R,4R)-2-(benzenesulfonyl)-4-fluorocyclohex-2-en-1-ol
SMILESO=S(=O)(C1=C[C@H](F)CC[C@H]1O)c1ccccc1
InChIInChI=1S/C12H13FO3S/c13-9-6-7-11(14)12(8-9)17(15,16)10-4-2-1-3-5-10/h1-5,8-9,11,14H,6-7H2/t9-,11-/m1/s1
InChIKeyIVMGSLURUISWSJ-MWLCHTKSSA-N
XLogP1.84
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,4R)-2-(benzenesulfonyl)-4-fluorocyclohex-2-en-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

(1R,4S)-2-(benzenesulfonyl)-4-(2-methoxyphenyl)cyclohex-2-en-1-ol
CID 101142433
2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 4593530
3-(benzenesulfonyl)-2-methyl-5-phenylsulfanylcyclohept-3-en-1-ol
CID 121278390
cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol
CID 11746739
benzenesulfonylbenzene;oxalic acid
CID 67897674
benzenesulfonylbenzene;ethane;methanol
CID 123145310
2,5-bis(benzenesulfonyl)-1,3a,4,6a-tetrahydropentalene
CID 22298015
3,6-bis(benzenesulfonyl)-1,2,4,5-tetrazine
CID 71416027
(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 59850114
(1R,4R,5S)-3-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohept-2-en-1-ol
CID 11246486
(1R,4S,5S)-3-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohept-2-en-1-ol
CID 11315459
benzenesulfonylbenzene;formonitrile
CID 174749173

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2-(benzenesulfonyl)-4-fluorocyclohex-2-en-1-ol?
The IUPAC name of (1R,4R)-2-(benzenesulfonyl)-4-fluorocyclohex-2-en-1-ol (CID 11807281) is (1R,4R)-2-(benzenesulfonyl)-4-fluorocyclohex-2-en-1-ol.
What is the SMILES notation for (1R,4R)-2-(benzenesulfonyl)-4-fluorocyclohex-2-en-1-ol?
The canonical SMILES for (1R,4R)-2-(benzenesulfonyl)-4-fluorocyclohex-2-en-1-ol is O=S(=O)(C1=C[C@H](F)CC[C@H]1O)c1ccccc1.
What is the InChIKey of (1R,4R)-2-(benzenesulfonyl)-4-fluorocyclohex-2-en-1-ol?
The InChIKey is IVMGSLURUISWSJ-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H13FO3S/c13-9-6-7-11(14)12(8-9)17(15,16)10-4-2-1-3-5-10/h1-5,8-9,11,14H,6-7H2/t9-,11-/m1/s1.
What are the key properties of (1R,4R)-2-(benzenesulfonyl)-4-fluorocyclohex-2-en-1-ol?
(1R,4R)-2-(benzenesulfonyl)-4-fluorocyclohex-2-en-1-ol has a molecular weight of 256.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2-(benzenesulfonyl)-4-fluorocyclohex-2-en-1-ol is sourced from PubChem (CID 11807281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).