1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine

C14H9F3N2O2S — CID 150655261

IUPAC1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine
SMILESO=S(=O)(c1ccccc1)n1ccc2cnc(C(F)(F)F)cc21
InChIInChI=1S/C14H9F3N2O2S/c15-14(16,17)13-8-12-10(9-18-13)6-7-19(12)22(20,21)11-4-2-1-3-5-11/h1-9H
InChIKeyJCSHJSJOLHPIGL-UHFFFAOYSA-N
MW326.30 g/mol
LogP3.29
Rot. Bonds2

About 1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine

1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine (PubChem CID 150655261) has the molecular formula C14H9F3N2O2S and a molecular weight of 326.30 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine
PubChem CID150655261
Molecular FormulaC14H9F3N2O2S
Molecular Weight326.30 g/mol
Exact Mass326.03
IUPAC Name1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine
SMILESO=S(=O)(c1ccccc1)n1ccc2cnc(C(F)(F)F)cc21
InChIInChI=1S/C14H9F3N2O2S/c15-14(16,17)13-8-12-10(9-18-13)6-7-19(12)22(20,21)11-4-2-1-3-5-11/h1-9H
InChIKeyJCSHJSJOLHPIGL-UHFFFAOYSA-N
XLogP3.29
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)indole-6-carbaldehyde
CID 10731848
1-(benzenesulfonyl)-7-bromopyrrolo[2,3-c]pyridine
CID 164886533
1-(benzenesulfonyl)-5-(4-fluorophenyl)indole
CID 164547009
[5-[1-(benzenesulfonyl)indol-5-yl]-3-fluoro-2-pyridinyl]hydrazine
CID 163365939
1-(benzenesulfonyl)-2-(trifluoromethyl)pyrrole
CID 23046295
1-(benzenesulfonyl)pyrrolo[3,2-c]isoquinoline
CID 15474221
1-(benzenesulfonyl)-N,N-dimethylindol-5-amine
CID 162661549
(E)-4-[1-(benzenesulfonyl)indol-6-yl]-2-methylbut-3-en-2-ol
CID 11121404
methyl 1-(benzenesulfonyl)indole-6-carboxylate
CID 54598082
1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridine
CID 18176436
[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-tert-butylcarbamic acid
CID 134279692
1-(benzenesulfonyl)-N-benzyl-N-piperidin-4-ylindol-5-amine;2,2,2-trifluoroacetic acid
CID 66650338

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine (CID 150655261) is 1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine is O=S(=O)(c1ccccc1)n1ccc2cnc(C(F)(F)F)cc21.
What is the InChIKey of 1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine?
The InChIKey is JCSHJSJOLHPIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2S/c15-14(16,17)13-8-12-10(9-18-13)6-7-19(12)22(20,21)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine?
1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine has a molecular weight of 326.30 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 150655261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).