1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol

C12H15BrClNO3S — CID 106546810

IUPAC1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol
SMILESCC1CN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CCC1O
InChIInChI=1S/C12H15BrClNO3S/c1-8-7-15(5-4-12(8)16)19(17,18)9-2-3-11(14)10(13)6-9/h2-3,6,8,12,16H,4-5,7H2,1H3
InChIKeyGBKGHRPGHMCADP-UHFFFAOYSA-N
MW368.68 g/mol
LogP2.49
Rot. Bonds2

About 1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol

1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol (PubChem CID 106546810) has the molecular formula C12H15BrClNO3S and a molecular weight of 368.68 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol
PubChem CID106546810
Molecular FormulaC12H15BrClNO3S
Molecular Weight368.68 g/mol
Exact Mass366.96
IUPAC Name1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol
SMILESCC1CN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CCC1O
InChIInChI=1S/C12H15BrClNO3S/c1-8-7-15(5-4-12(8)16)19(17,18)9-2-3-11(14)10(13)6-9/h2-3,6,8,12,16H,4-5,7H2,1H3
InChIKeyGBKGHRPGHMCADP-UHFFFAOYSA-N
XLogP2.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.68
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-(3-bromo-4-chlorophenyl)sulfonyl-4-methylpiperidine
CID 106613268
1-(4-chloro-3-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114678258
3-bromo-1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidine
CID 106613066
1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708379
(3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120713062
1-(3-amino-4-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114677569
1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680539
1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680582
2-[1-(3-bromo-4-chlorophenyl)sulfonylazetidin-3-yl]propanoic acid
CID 106605652
(3S,4S)-1-(2,4-dichloro-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 99828026
1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680548
1-(3-bromo-4-chlorophenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 106605662

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol (CID 106546810) is 1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol is CC1CN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CCC1O.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol?
The InChIKey is GBKGHRPGHMCADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO3S/c1-8-7-15(5-4-12(8)16)19(17,18)9-2-3-11(14)10(13)6-9/h2-3,6,8,12,16H,4-5,7H2,1H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol?
1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol has a molecular weight of 368.68 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol is sourced from PubChem (CID 106546810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).