1-[(6-chloro-5-methyl-3-pyridinyl)sulfonyl]-4-(trifluoromethyl)piperidin-4-ol

C12H14ClF3N2O3S — CID 71906767

IUPAC1-[(6-chloro-5-methyl-3-pyridinyl)sulfonyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCc1cc(S(=O)(=O)N2CCC(O)(C(F)(F)F)CC2)cnc1Cl
InChIInChI=1S/C12H14ClF3N2O3S/c1-8-6-9(7-17-10(8)13)22(20,21)18-4-2-11(19,3-5-18)12(14,15)16/h6-7,19H,2-5H2,1H3
InChIKeyWPMIPZAAJBQSBB-UHFFFAOYSA-N
MW358.77 g/mol
LogP2.12
Rot. Bonds2

About 1-[(6-chloro-5-methyl-3-pyridinyl)sulfonyl]-4-(trifluoromethyl)piperidin-4-ol

1-[(6-chloro-5-methyl-3-pyridinyl)sulfonyl]-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 71906767) has the molecular formula C12H14ClF3N2O3S and a molecular weight of 358.77 g/mol. Its IUPAC name is 1-[(6-chloro-5-methyl-3-pyridinyl)sulfonyl]-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(6-chloro-5-methyl-3-pyridinyl)sulfonyl]-4-(trifluoromethyl)piperidin-4-ol
PubChem CID71906767
Molecular FormulaC12H14ClF3N2O3S
Molecular Weight358.77 g/mol
Exact Mass358.04
IUPAC Name1-[(6-chloro-5-methyl-3-pyridinyl)sulfonyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCc1cc(S(=O)(=O)N2CCC(O)(C(F)(F)F)CC2)cnc1Cl
InChIInChI=1S/C12H14ClF3N2O3S/c1-8-6-9(7-17-10(8)13)22(20,21)18-4-2-11(19,3-5-18)12(14,15)16/h6-7,19H,2-5H2,1H3
InChIKeyWPMIPZAAJBQSBB-UHFFFAOYSA-N
XLogP2.12
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.77
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-5-methylpyridine-3-sulfonic acid
CID 87212324
1-(4-bromo-3-methylphenyl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 134361933
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]azepane
CID 4730925
(3R)-1-[(5,6-dichloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 103834699
2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 64608977
(3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97239536
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103770
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 110295034
3-methyl-5-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 82487990
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
CID 64606820
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2-dimethylmorpholine
CID 64607202
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1,4-oxazepane
CID 64608038

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-5-methyl-3-pyridinyl)sulfonyl]-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-[(6-chloro-5-methyl-3-pyridinyl)sulfonyl]-4-(trifluoromethyl)piperidin-4-ol (CID 71906767) is 1-[(6-chloro-5-methyl-3-pyridinyl)sulfonyl]-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(6-chloro-5-methyl-3-pyridinyl)sulfonyl]-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-[(6-chloro-5-methyl-3-pyridinyl)sulfonyl]-4-(trifluoromethyl)piperidin-4-ol is Cc1cc(S(=O)(=O)N2CCC(O)(C(F)(F)F)CC2)cnc1Cl.
What is the InChIKey of 1-[(6-chloro-5-methyl-3-pyridinyl)sulfonyl]-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is WPMIPZAAJBQSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O3S/c1-8-6-9(7-17-10(8)13)22(20,21)18-4-2-11(19,3-5-18)12(14,15)16/h6-7,19H,2-5H2,1H3.
What are the key properties of 1-[(6-chloro-5-methyl-3-pyridinyl)sulfonyl]-4-(trifluoromethyl)piperidin-4-ol?
1-[(6-chloro-5-methyl-3-pyridinyl)sulfonyl]-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 358.77 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-5-methyl-3-pyridinyl)sulfonyl]-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 71906767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).