4-[(4-bromo-3-fluorophenyl)sulfonylmethyl]cyclohexan-1-ol

C13H16BrFO3S — CID 58344274

IUPAC4-[(4-bromo-3-fluorophenyl)sulfonylmethyl]cyclohexan-1-ol
SMILESO=S(=O)(CC1CCC(O)CC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H16BrFO3S/c14-12-6-5-11(7-13(12)15)19(17,18)8-9-1-3-10(16)4-2-9/h5-7,9-10,16H,1-4,8H2
InChIKeyVDIMDWRWASASLG-UHFFFAOYSA-N
MW351.24 g/mol
LogP2.91
Rot. Bonds3

About 4-[(4-bromo-3-fluorophenyl)sulfonylmethyl]cyclohexan-1-ol

4-[(4-bromo-3-fluorophenyl)sulfonylmethyl]cyclohexan-1-ol (PubChem CID 58344274) has the molecular formula C13H16BrFO3S and a molecular weight of 351.24 g/mol. Its IUPAC name is 4-[(4-bromo-3-fluorophenyl)sulfonylmethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-bromo-3-fluorophenyl)sulfonylmethyl]cyclohexan-1-ol
PubChem CID58344274
Molecular FormulaC13H16BrFO3S
Molecular Weight351.24 g/mol
Exact Mass350.00
IUPAC Name4-[(4-bromo-3-fluorophenyl)sulfonylmethyl]cyclohexan-1-ol
SMILESO=S(=O)(CC1CCC(O)CC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H16BrFO3S/c14-12-6-5-11(7-13(12)15)19(17,18)8-9-1-3-10(16)4-2-9/h5-7,9-10,16H,1-4,8H2
InChIKeyVDIMDWRWASASLG-UHFFFAOYSA-N
XLogP2.91
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(((4-Fluorophenyl)sulfonyl)methyl)cyclohexanol
CID 21996087
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
8-[(4-Bromo-3-fluorophenyl)sulfonylmethyl]-1,4-dioxaspiro[4.5]decane
CID 146397700
4-[(4-Bromo-3-fluorophenyl)sulfanylmethyl]-1-methylcyclohexan-1-ol
CID 146397704
4-[(4-Bromo-2-fluorophenyl)sulfonylmethyl]oxane
CID 156684428
4-[(4-Bromo-3-fluorophenyl)sulfonylmethyl]oxane
CID 156684436
3-(4-Bromo-2-fluorophenyl)sulfonylpropan-1-ol
CID 161878444
2-[Benzenesulfonyl(fluoro)methyl]cyclohexan-1-ol
CID 16083406
1-(4-Bromophenyl)sulfanyl-3-(3-fluorophenyl)propan-2-ol
CID 66055287
1-(4-Bromophenyl)sulfanyl-3-(2-fluorophenyl)propan-2-ol
CID 66055477

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3-fluorophenyl)sulfonylmethyl]cyclohexan-1-ol?
The IUPAC name of 4-[(4-bromo-3-fluorophenyl)sulfonylmethyl]cyclohexan-1-ol (CID 58344274) is 4-[(4-bromo-3-fluorophenyl)sulfonylmethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4-bromo-3-fluorophenyl)sulfonylmethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(4-bromo-3-fluorophenyl)sulfonylmethyl]cyclohexan-1-ol is O=S(=O)(CC1CCC(O)CC1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-[(4-bromo-3-fluorophenyl)sulfonylmethyl]cyclohexan-1-ol?
The InChIKey is VDIMDWRWASASLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFO3S/c14-12-6-5-11(7-13(12)15)19(17,18)8-9-1-3-10(16)4-2-9/h5-7,9-10,16H,1-4,8H2.
What are the key properties of 4-[(4-bromo-3-fluorophenyl)sulfonylmethyl]cyclohexan-1-ol?
4-[(4-bromo-3-fluorophenyl)sulfonylmethyl]cyclohexan-1-ol has a molecular weight of 351.24 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3-fluorophenyl)sulfonylmethyl]cyclohexan-1-ol is sourced from PubChem (CID 58344274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).