2-(4-bromophenyl)sulfonyl-1-cyclohexylethanol

C14H19BrO3S — CID 106585004

IUPAC2-(4-bromophenyl)sulfonyl-1-cyclohexylethanol
SMILESO=S(=O)(CC(O)C1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrO3S/c15-12-6-8-13(9-7-12)19(17,18)10-14(16)11-4-2-1-3-5-11/h6-9,11,14,16H,1-5,10H2
InChIKeyBAORKLWHKFARLM-UHFFFAOYSA-N
MW347.27 g/mol
LogP3.16
Rot. Bonds4

About 2-(4-bromophenyl)sulfonyl-1-cyclohexylethanol

2-(4-bromophenyl)sulfonyl-1-cyclohexylethanol (PubChem CID 106585004) has the molecular formula C14H19BrO3S and a molecular weight of 347.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyl-1-cyclohexylethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyl-1-cyclohexylethanol
PubChem CID106585004
Molecular FormulaC14H19BrO3S
Molecular Weight347.27 g/mol
Exact Mass346.02
IUPAC Name2-(4-bromophenyl)sulfonyl-1-cyclohexylethanol
SMILESO=S(=O)(CC(O)C1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrO3S/c15-12-6-8-13(9-7-12)19(17,18)10-14(16)11-4-2-1-3-5-11/h6-9,11,14,16H,1-5,10H2
InChIKeyBAORKLWHKFARLM-UHFFFAOYSA-N
XLogP3.16
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-(benzenesulfonyl)-1-cyclohexylethanol
CID 12958388
4-[(4-Bromo-3-fluorophenyl)sulfonylmethyl]cyclohexan-1-ol
CID 58344274
8-(4-Bromo-2-fluorophenyl)sulfonyl-1-oxaspiro[4.5]decane
CID 90748146
[(2R,3R)-4-(4-bromophenyl)sulfonyl-3-fluoro-2-(1-iodoethoxy)cyclohexyl]methanol
CID 139483240
4-[(4-Bromo-3-fluorophenyl)sulfonylmethyl]-1-methylcyclohexan-1-ol
CID 146397653
2-(Benzenesulfonyl)-1-cyclohexylethanol
CID 12958387
2-(4-Bromophenyl)-2-(4-methylphenyl)sulfonylethanol
CID 44208282
(Z)-1-(4-bromophenyl)sulfinyloct-1-en-3-ol
CID 49794514
(1R,2R)-1-(2-bromophenyl)-1-(4-methylphenyl)sulfonylpentan-2-ol
CID 134931172
(1S,2R)-1-(2-bromophenyl)-1-(4-methylphenyl)sulfonylpentan-2-ol
CID 134931173
2-[Benzenesulfonyl(fluoro)methyl]cyclohexan-1-ol
CID 16083406
1-(4-Bromophenyl)sulfanyl-3-(3-fluorophenyl)propan-2-ol
CID 66055287

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyl-1-cyclohexylethanol?
The IUPAC name of 2-(4-bromophenyl)sulfonyl-1-cyclohexylethanol (CID 106585004) is 2-(4-bromophenyl)sulfonyl-1-cyclohexylethanol.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyl-1-cyclohexylethanol?
The canonical SMILES for 2-(4-bromophenyl)sulfonyl-1-cyclohexylethanol is O=S(=O)(CC(O)C1CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfonyl-1-cyclohexylethanol?
The InChIKey is BAORKLWHKFARLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO3S/c15-12-6-8-13(9-7-12)19(17,18)10-14(16)11-4-2-1-3-5-11/h6-9,11,14,16H,1-5,10H2.
What are the key properties of 2-(4-bromophenyl)sulfonyl-1-cyclohexylethanol?
2-(4-bromophenyl)sulfonyl-1-cyclohexylethanol has a molecular weight of 347.27 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonyl-1-cyclohexylethanol is sourced from PubChem (CID 106585004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).