1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-ol

C13H18ClNO3S — CID 23853542

IUPAC1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-ol
SMILESCc1cc(S(=O)(=O)N2CCC(O)CC2)c(C)cc1Cl
InChIInChI=1S/C13H18ClNO3S/c1-9-8-13(10(2)7-12(9)14)19(17,18)15-5-3-11(16)4-6-15/h7-8,11,16H,3-6H2,1-2H3
InChIKeyOXVNUYVNMABCQB-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.10
Rot. Bonds2

About 1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-ol

1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-ol (PubChem CID 23853542) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-ol
PubChem CID23853542
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-ol
SMILESCc1cc(S(=O)(=O)N2CCC(O)CC2)c(C)cc1Cl
InChIInChI=1S/C13H18ClNO3S/c1-9-8-13(10(2)7-12(9)14)19(17,18)15-5-3-11(16)4-6-15/h7-8,11,16H,3-6H2,1-2H3
InChIKeyOXVNUYVNMABCQB-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 91604099
1-(4,5-dimethyl-2-nitrophenyl)sulfonylpiperidin-4-ol
CID 43502869
(3R)-1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291641
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918645
4-(2-bromocyclohexa-2,5-dien-1-yl)-1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidine
CID 174503509
(3S)-1-(5-amino-4-chloro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 107213866
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol
CID 43502793
1-(4-hydroxy-2,6-dimethylphenyl)sulfonylpiperidin-4-ol
CID 91759163
4-methylsulfonyl-1-(2,4,5-trimethylphenyl)sulfonylpiperidine
CID 90585225
(3S,4R)-1-(5-amino-4-chloro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
CID 107213252
1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol
CID 43394316
1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 2992112

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-ol?
The IUPAC name of 1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-ol (CID 23853542) is 1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-ol?
The canonical SMILES for 1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-ol is Cc1cc(S(=O)(=O)N2CCC(O)CC2)c(C)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-ol?
The InChIKey is OXVNUYVNMABCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-9-8-13(10(2)7-12(9)14)19(17,18)15-5-3-11(16)4-6-15/h7-8,11,16H,3-6H2,1-2H3.
What are the key properties of 1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-ol?
1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-ol has a molecular weight of 303.81 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 23853542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).