5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide

C12H8F3N3O2S2 — CID 59406218

IUPAC5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C(F)(F)F)cc23)s1
InChIInChI=1S/C12H8F3N3O2S2/c13-12(14,15)9-5-7-6(3-4-17-11(7)18-9)8-1-2-10(21-8)22(16,19)20/h1-5H,(H,17,18)(H2,16,19,20)
InChIKeyIRTKTLPTDZENAP-UHFFFAOYSA-N
MW347.34 g/mol
LogP2.96
Rot. Bonds2

About 5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide

5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide (PubChem CID 59406218) has the molecular formula C12H8F3N3O2S2 and a molecular weight of 347.34 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide
PubChem CID59406218
Molecular FormulaC12H8F3N3O2S2
Molecular Weight347.34 g/mol
Exact Mass347.00
IUPAC Name5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C(F)(F)F)cc23)s1
InChIInChI=1S/C12H8F3N3O2S2/c13-12(14,15)9-5-7-6(3-4-17-11(7)18-9)8-1-2-10(21-8)22(16,19)20/h1-5H,(H,17,18)(H2,16,19,20)
InChIKeyIRTKTLPTDZENAP-UHFFFAOYSA-N
XLogP2.96
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide (CID 59406218) is 5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C(F)(F)F)cc23)s1.
What is the InChIKey of 5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide?
The InChIKey is IRTKTLPTDZENAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O2S2/c13-12(14,15)9-5-7-6(3-4-17-11(7)18-9)8-1-2-10(21-8)22(16,19)20/h1-5H,(H,17,18)(H2,16,19,20).
What are the key properties of 5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide?
5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide has a molecular weight of 347.34 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 59406218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).