1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)benzimidazole

C19H17ClF3N3O2S — CID 1469444

IUPAC1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)benzimidazole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC(n2cnc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C19H17ClF3N3O2S/c20-14-2-4-16(5-3-14)29(27,28)25-9-7-15(8-10-25)26-12-24-17-11-13(19(21,22)23)1-6-18(17)26/h1-6,11-12,15H,7-10H2
InChIKeyPGPVELVARLLHIB-UHFFFAOYSA-N
MW443.88 g/mol
LogP4.73
Rot. Bonds3

About 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)benzimidazole

1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)benzimidazole (PubChem CID 1469444) has the molecular formula C19H17ClF3N3O2S and a molecular weight of 443.88 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)benzimidazole
PubChem CID1469444
Molecular FormulaC19H17ClF3N3O2S
Molecular Weight443.88 g/mol
Exact Mass443.07
IUPAC Name1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)benzimidazole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC(n2cnc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C19H17ClF3N3O2S/c20-14-2-4-16(5-3-14)29(27,28)25-9-7-15(8-10-25)26-12-24-17-11-13(19(21,22)23)1-6-18(17)26/h1-6,11-12,15H,7-10H2
InChIKeyPGPVELVARLLHIB-UHFFFAOYSA-N
XLogP4.73
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.88
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)benzimidazole (CID 1469444) is 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)benzimidazole is O=S(=O)(c1ccc(Cl)cc1)N1CCC(n2cnc3cc(C(F)(F)F)ccc32)CC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)benzimidazole?
The InChIKey is PGPVELVARLLHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3O2S/c20-14-2-4-16(5-3-14)29(27,28)25-9-7-15(8-10-25)26-12-24-17-11-13(19(21,22)23)1-6-18(17)26/h1-6,11-12,15H,7-10H2.
What are the key properties of 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)benzimidazole?
1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)benzimidazole has a molecular weight of 443.88 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 1469444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).