1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol

C13H18ClNO3S — CID 114680582

IUPAC1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol
SMILESCc1ccc(S(=O)(=O)N2CCC(O)C(C)C2)c(Cl)c1
InChIInChI=1S/C13H18ClNO3S/c1-9-3-4-13(11(14)7-9)19(17,18)15-6-5-12(16)10(2)8-15/h3-4,7,10,12,16H,5-6,8H2,1-2H3
InChIKeySFSTVTCVYASYEO-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.04
Rot. Bonds2

About 1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol

1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol (PubChem CID 114680582) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol
PubChem CID114680582
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol
SMILESCc1ccc(S(=O)(=O)N2CCC(O)C(C)C2)c(Cl)c1
InChIInChI=1S/C13H18ClNO3S/c1-9-3-4-13(11(14)7-9)19(17,18)15-6-5-12(16)10(2)8-15/h3-4,7,10,12,16H,5-6,8H2,1-2H3
InChIKeySFSTVTCVYASYEO-UHFFFAOYSA-N
XLogP2.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868073
(3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962659
1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959179
(3S,4S)-1-(2,4-dichloro-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 99828026
1-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834565
1-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583142
methyl 1-(2-chloro-4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 32674219
N-[[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 80546648
1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 32680976
(3S,4S)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3,4-diol
CID 131932032
N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 51339666
(4aS,8aR)-6-(2-chloro-4-methylphenyl)sulfonyl-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 129350248

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol?
The IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol (CID 114680582) is 1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol is Cc1ccc(S(=O)(=O)N2CCC(O)C(C)C2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol?
The InChIKey is SFSTVTCVYASYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-9-3-4-13(11(14)7-9)19(17,18)15-6-5-12(16)10(2)8-15/h3-4,7,10,12,16H,5-6,8H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol?
1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol has a molecular weight of 303.81 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol is sourced from PubChem (CID 114680582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).