3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide

C15H10F3N7O2S — CID 118266587

IUPAC3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cnc3cc[nH]c3c2)c1-c1nn[nH]n1
InChIInChI=1S/C15H10F3N7O2S/c16-15(17,18)9-2-1-8(7-5-11-10(21-6-7)3-4-20-11)12(13(9)28(19,26)27)14-22-24-25-23-14/h1-6,20H,(H2,19,26,27)(H,22,23,24,25)
InChIKeyTVFBTLXEPYKCBH-UHFFFAOYSA-N
MW409.35 g/mol
LogP2.08
Rot. Bonds3

About 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide

3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 118266587) has the molecular formula C15H10F3N7O2S and a molecular weight of 409.35 g/mol. Its IUPAC name is 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID118266587
Molecular FormulaC15H10F3N7O2S
Molecular Weight409.35 g/mol
Exact Mass409.06
IUPAC Name3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cnc3cc[nH]c3c2)c1-c1nn[nH]n1
InChIInChI=1S/C15H10F3N7O2S/c16-15(17,18)9-2-1-8(7-5-11-10(21-6-7)3-4-20-11)12(13(9)28(19,26)27)14-22-24-25-23-14/h1-6,20H,(H2,19,26,27)(H,22,23,24,25)
InChIKeyTVFBTLXEPYKCBH-UHFFFAOYSA-N
XLogP2.08
TPSA143.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.35
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Imidazo[1,5-a]pyridin-8-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118256845
3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118256964
3-(4-amino-6-quinolyl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266473
3-(4-Amino-7-quinolyl)-2-(1-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266589
3-pyrazolo[1,5-a]pyridin-3-yl-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 134823683
3-(5-aminopyridin-2-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 118266258
3-(2-amino-1H-imidazo[4,5-c]pyridin-7-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266367
2-(1H-tetrazol-5-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]benzenesulfonamide
CID 118266515
3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266099
US10221163, Example 320
CID 135311118
US10221163, Example 359
CID 139269271
US10221163, Example 373
CID 139269273

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 118266587) is 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cnc3cc[nH]c3c2)c1-c1nn[nH]n1.
What is the InChIKey of 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is TVFBTLXEPYKCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N7O2S/c16-15(17,18)9-2-1-8(7-5-11-10(21-6-7)3-4-20-11)12(13(9)28(19,26)27)14-22-24-25-23-14/h1-6,20H,(H2,19,26,27)(H,22,23,24,25).
What are the key properties of 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 409.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118266587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).