2-(benzenesulfonyl)cyclohexen-1-ol

C12H14O3S — CID 175687193

IUPAC2-(benzenesulfonyl)cyclohexen-1-ol
SMILESO=S(=O)(C1=C(O)CCCC1)c1ccccc1
InChIInChI=1S/C12H14O3S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-3,6-7,13H,4-5,8-9H2
InChIKeyJLRYRDKWDSOEKM-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.80
Rot. Bonds2

About 2-(benzenesulfonyl)cyclohexen-1-ol

2-(benzenesulfonyl)cyclohexen-1-ol (PubChem CID 175687193) has the molecular formula C12H14O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(benzenesulfonyl)cyclohexen-1-ol.

Molecular Properties

Compound Name2-(benzenesulfonyl)cyclohexen-1-ol
PubChem CID175687193
Molecular FormulaC12H14O3S
Molecular Weight238.31 g/mol
Exact Mass238.07
IUPAC Name2-(benzenesulfonyl)cyclohexen-1-ol
SMILESO=S(=O)(C1=C(O)CCCC1)c1ccccc1
InChIInChI=1S/C12H14O3S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-3,6-7,13H,4-5,8-9H2
InChIKeyJLRYRDKWDSOEKM-UHFFFAOYSA-N
XLogP2.80
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(benzenesulfonyl)cyclohexen-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

2-(benzenesulfonyl)-3-hydroxycyclohex-2-en-1-one
CID 171976153
[(E)-2-[2-(benzenesulfonyl)cyclohexen-1-yl]ethenyl]sulfonylbenzene
CID 10960076
(3aE)-4-(benzenesulfonyl)-3,5,6,7,8,9-hexahydrocyclopenta[8]annulen-2-one
CID 101210731
benzenesulfonylbenzene;oxalic acid
CID 67897674
benzenesulfonylbenzene;ethane;methanol
CID 123145310
2-[(7E)-2-(benzenesulfonyl)-7-benzylidenecyclohepten-1-yl]prop-2-en-1-ol
CID 11589005
cyclopenten-1-ylsulfonylbenzene
CID 580522
benzenesulfonylbenzene;formonitrile
CID 174749173
1,2-bis(benzenesulfonyl)benzene
CID 19980733
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467
1-cyclopentylideneethylsulfonylbenzene
CID 12022055
benzenesulfonylbenzene;thiolane 1,1-dioxide
CID 70469989

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)cyclohexen-1-ol?
The IUPAC name of 2-(benzenesulfonyl)cyclohexen-1-ol (CID 175687193) is 2-(benzenesulfonyl)cyclohexen-1-ol.
What is the SMILES notation for 2-(benzenesulfonyl)cyclohexen-1-ol?
The canonical SMILES for 2-(benzenesulfonyl)cyclohexen-1-ol is O=S(=O)(C1=C(O)CCCC1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)cyclohexen-1-ol?
The InChIKey is JLRYRDKWDSOEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-3,6-7,13H,4-5,8-9H2.
What are the key properties of 2-(benzenesulfonyl)cyclohexen-1-ol?
2-(benzenesulfonyl)cyclohexen-1-ol has a molecular weight of 238.31 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)cyclohexen-1-ol is sourced from PubChem (CID 175687193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).