1-[2-chloro-5-(5-thiophen-2-yl-1H-imidazol-2-yl)phenyl]sulfonylpiperidin-4-ol

C18H18ClN3O3S2 — CID 122594560

IUPAC1-[2-chloro-5-(5-thiophen-2-yl-1H-imidazol-2-yl)phenyl]sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1cc(-c2ncc(-c3cccs3)[nH]2)ccc1Cl)N1CCC(O)CC1
InChIInChI=1S/C18H18ClN3O3S2/c19-14-4-3-12(18-20-11-15(21-18)16-2-1-9-26-16)10-17(14)27(24,25)22-7-5-13(23)6-8-22/h1-4,9-11,13,23H,5-8H2,(H,20,21)
InChIKeyHAYOWANYYYYVQA-UHFFFAOYSA-N
MW423.95 g/mol
LogP3.60
Rot. Bonds4

About 1-[2-chloro-5-(5-thiophen-2-yl-1H-imidazol-2-yl)phenyl]sulfonylpiperidin-4-ol

1-[2-chloro-5-(5-thiophen-2-yl-1H-imidazol-2-yl)phenyl]sulfonylpiperidin-4-ol (PubChem CID 122594560) has the molecular formula C18H18ClN3O3S2 and a molecular weight of 423.95 g/mol. Its IUPAC name is 1-[2-chloro-5-(5-thiophen-2-yl-1H-imidazol-2-yl)phenyl]sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-chloro-5-(5-thiophen-2-yl-1H-imidazol-2-yl)phenyl]sulfonylpiperidin-4-ol
PubChem CID122594560
Molecular FormulaC18H18ClN3O3S2
Molecular Weight423.95 g/mol
Exact Mass423.05
IUPAC Name1-[2-chloro-5-(5-thiophen-2-yl-1H-imidazol-2-yl)phenyl]sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1cc(-c2ncc(-c3cccs3)[nH]2)ccc1Cl)N1CCC(O)CC1
InChIInChI=1S/C18H18ClN3O3S2/c19-14-4-3-12(18-20-11-15(21-18)16-2-1-9-26-16)10-17(14)27(24,25)22-7-5-13(23)6-8-22/h1-4,9-11,13,23H,5-8H2,(H,20,21)
InChIKeyHAYOWANYYYYVQA-UHFFFAOYSA-N
XLogP3.60
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-chloro-5-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol
CID 122594630
1-[2-chloro-5-[5-[4-(2,2,2-trifluoroethyl)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol
CID 122595824
1-[5-[5-(1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidin-4-ol
CID 122594613
1-[2-chloro-5-[5-[2-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol
CID 122594627
4-[2-[4-chloro-3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-1H-imidazol-5-yl]-2-fluorobenzonitrile
CID 122595847
(4R)-1-[5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylazepan-4-ol
CID 122594731
(5R)-8-[2-chloro-5-[5-(3-chloro-4-methylphenyl)-1H-imidazol-2-yl]phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 130287321
(3R,6S)-1-[5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylazepane-3,6-diol
CID 122594773
1-[5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylazepan-3-ol
CID 122594660
(3R,4R)-1-[5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpyrrolidine-3,4-diol
CID 122594725
(2R)-1-[2-chloro-5-[5-(3-chloro-4-cyclopropylphenyl)-1H-imidazol-2-yl]phenyl]sulfonyl-2,6-dimethylpiperidin-4-ol
CID 130291372
(1R,5S,7R)-3-[5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonyl-3-azabicyclo[5.1.0]octan-5-ol
CID 122594575

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(5-thiophen-2-yl-1H-imidazol-2-yl)phenyl]sulfonylpiperidin-4-ol?
The IUPAC name of 1-[2-chloro-5-(5-thiophen-2-yl-1H-imidazol-2-yl)phenyl]sulfonylpiperidin-4-ol (CID 122594560) is 1-[2-chloro-5-(5-thiophen-2-yl-1H-imidazol-2-yl)phenyl]sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-[2-chloro-5-(5-thiophen-2-yl-1H-imidazol-2-yl)phenyl]sulfonylpiperidin-4-ol?
The canonical SMILES for 1-[2-chloro-5-(5-thiophen-2-yl-1H-imidazol-2-yl)phenyl]sulfonylpiperidin-4-ol is O=S(=O)(c1cc(-c2ncc(-c3cccs3)[nH]2)ccc1Cl)N1CCC(O)CC1.
What is the InChIKey of 1-[2-chloro-5-(5-thiophen-2-yl-1H-imidazol-2-yl)phenyl]sulfonylpiperidin-4-ol?
The InChIKey is HAYOWANYYYYVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S2/c19-14-4-3-12(18-20-11-15(21-18)16-2-1-9-26-16)10-17(14)27(24,25)22-7-5-13(23)6-8-22/h1-4,9-11,13,23H,5-8H2,(H,20,21).
What are the key properties of 1-[2-chloro-5-(5-thiophen-2-yl-1H-imidazol-2-yl)phenyl]sulfonylpiperidin-4-ol?
1-[2-chloro-5-(5-thiophen-2-yl-1H-imidazol-2-yl)phenyl]sulfonylpiperidin-4-ol has a molecular weight of 423.95 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(5-thiophen-2-yl-1H-imidazol-2-yl)phenyl]sulfonylpiperidin-4-ol is sourced from PubChem (CID 122594560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).