1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-piperidin-1-ylbenzimidazole

C19H17ClF3N3O2S — CID 150729010

IUPAC1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-piperidin-1-ylbenzimidazole
SMILESO=S(=O)(c1cc(C(F)(F)F)ccc1Cl)n1cnc2c(N3CCCCC3)cccc21
InChIInChI=1S/C19H17ClF3N3O2S/c20-14-8-7-13(19(21,22)23)11-17(14)29(27,28)26-12-24-18-15(5-4-6-16(18)26)25-9-2-1-3-10-25/h4-8,11-12H,1-3,9-10H2
InChIKeyJRLDOKDNDXWDQI-UHFFFAOYSA-N
MW443.88 g/mol
LogP4.94
Rot. Bonds3

About 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-piperidin-1-ylbenzimidazole

1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-piperidin-1-ylbenzimidazole (PubChem CID 150729010) has the molecular formula C19H17ClF3N3O2S and a molecular weight of 443.88 g/mol. Its IUPAC name is 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-piperidin-1-ylbenzimidazole.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-piperidin-1-ylbenzimidazole
PubChem CID150729010
Molecular FormulaC19H17ClF3N3O2S
Molecular Weight443.88 g/mol
Exact Mass443.07
IUPAC Name1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-piperidin-1-ylbenzimidazole
SMILESO=S(=O)(c1cc(C(F)(F)F)ccc1Cl)n1cnc2c(N3CCCCC3)cccc21
InChIInChI=1S/C19H17ClF3N3O2S/c20-14-8-7-13(19(21,22)23)11-17(14)29(27,28)26-12-24-18-15(5-4-6-16(18)26)25-9-2-1-3-10-25/h4-8,11-12H,1-3,9-10H2
InChIKeyJRLDOKDNDXWDQI-UHFFFAOYSA-N
XLogP4.94
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.88
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloronaphthalen-1-yl)sulfonyl-4-piperazin-1-ylbenzimidazole
CID 46204995
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 2129442
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 4993923
4-piperazin-1-yl-1-[2-(trifluoromethoxy)phenyl]sulfonylbenzimidazole
CID 46204041
1-(3-chloro-2-methylphenyl)sulfonyl-4-(3-methylpiperazin-1-yl)benzimidazole
CID 46205653
[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone
CID 24622280
1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-piperidin-1-ylindole
CID 158620437
2-chloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 22576015
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazine chloride
CID 53351945
2-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 55914778
9-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3516792
2-methyl-4-piperidin-1-yl-1-[2-(trifluoromethyl)phenyl]sulfonylbenzimidazole
CID 152671319

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-piperidin-1-ylbenzimidazole?
The IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-piperidin-1-ylbenzimidazole (CID 150729010) is 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-piperidin-1-ylbenzimidazole.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-piperidin-1-ylbenzimidazole?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-piperidin-1-ylbenzimidazole is O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)n1cnc2c(N3CCCCC3)cccc21.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-piperidin-1-ylbenzimidazole?
The InChIKey is JRLDOKDNDXWDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3O2S/c20-14-8-7-13(19(21,22)23)11-17(14)29(27,28)26-12-24-18-15(5-4-6-16(18)26)25-9-2-1-3-10-25/h4-8,11-12H,1-3,9-10H2.
What are the key properties of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-piperidin-1-ylbenzimidazole?
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-piperidin-1-ylbenzimidazole has a molecular weight of 443.88 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-piperidin-1-ylbenzimidazole is sourced from PubChem (CID 150729010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).