1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]ethanol

C14H20BrNO3S — CID 103834649

IUPAC1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]ethanol
SMILESCc1cc(S(=O)(=O)N2CCC(C(C)O)CC2)ccc1Br
InChIInChI=1S/C14H20BrNO3S/c1-10-9-13(3-4-14(10)15)20(18,19)16-7-5-12(6-8-16)11(2)17/h3-4,9,11-12,17H,5-8H2,1-2H3
InChIKeyFDYLEJBDQQMZCF-UHFFFAOYSA-N
MW362.29 g/mol
LogP2.54
Rot. Bonds3

About 1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]ethanol

1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]ethanol (PubChem CID 103834649) has the molecular formula C14H20BrNO3S and a molecular weight of 362.29 g/mol. Its IUPAC name is 1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]ethanol
PubChem CID103834649
Molecular FormulaC14H20BrNO3S
Molecular Weight362.29 g/mol
Exact Mass361.03
IUPAC Name1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]ethanol
SMILESCc1cc(S(=O)(=O)N2CCC(C(C)O)CC2)ccc1Br
InChIInChI=1S/C14H20BrNO3S/c1-10-9-13(3-4-14(10)15)20(18,19)16-7-5-12(6-8-16)11(2)17/h3-4,9,11-12,17H,5-8H2,1-2H3
InChIKeyFDYLEJBDQQMZCF-UHFFFAOYSA-N
XLogP2.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834597
1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine
CID 4885054
1-(4-bromo-3-methylphenyl)sulfonyl-4-ethoxypiperidine
CID 47350781
1-(4-bromo-3-methylphenyl)sulfonyl-4-butan-2-ylpiperazine
CID 62777859
(3R)-1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 129368746
4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine
CID 7938048
3-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzoic acid
CID 106835672
1-[1-[(6-amino-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol
CID 106835157
[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-cyclopentylmethanone
CID 8699978
1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol
CID 106836366
ethyl 4-(4-bromo-3-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 26947788
1-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]ethanol
CID 106835153

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]ethanol (CID 103834649) is 1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]ethanol is Cc1cc(S(=O)(=O)N2CCC(C(C)O)CC2)ccc1Br.
What is the InChIKey of 1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]ethanol?
The InChIKey is FDYLEJBDQQMZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3S/c1-10-9-13(3-4-14(10)15)20(18,19)16-7-5-12(6-8-16)11(2)17/h3-4,9,11-12,17H,5-8H2,1-2H3.
What are the key properties of 1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]ethanol?
1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]ethanol has a molecular weight of 362.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]ethanol is sourced from PubChem (CID 103834649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).