N-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide

C16H14F3N3O3S — CID 59744546

IUPACN-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(-c2ccnc3[nH]c(C(F)(F)F)cc23)cc1
InChIInChI=1S/C16H14F3N3O3S/c17-16(18,19)14-9-13-12(5-6-20-15(13)22-14)10-1-3-11(4-2-10)26(24,25)21-7-8-23/h1-6,9,21,23H,7-8H2,(H,20,22)
InChIKeyCHZVFENZCVWBMI-UHFFFAOYSA-N
MW385.37 g/mol
LogP2.52
Rot. Bonds5

About N-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide

N-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide (PubChem CID 59744546) has the molecular formula C16H14F3N3O3S and a molecular weight of 385.37 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide
PubChem CID59744546
Molecular FormulaC16H14F3N3O3S
Molecular Weight385.37 g/mol
Exact Mass385.07
IUPAC NameN-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(-c2ccnc3[nH]c(C(F)(F)F)cc23)cc1
InChIInChI=1S/C16H14F3N3O3S/c17-16(18,19)14-9-13-12(5-6-20-15(13)22-14)10-1-3-11(4-2-10)26(24,25)21-7-8-23/h1-6,9,21,23H,7-8H2,(H,20,22)
InChIKeyCHZVFENZCVWBMI-UHFFFAOYSA-N
XLogP2.52
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide (CID 59744546) is N-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide is O=S(=O)(NCCO)c1ccc(-c2ccnc3[nH]c(C(F)(F)F)cc23)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide?
The InChIKey is CHZVFENZCVWBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3S/c17-16(18,19)14-9-13-12(5-6-20-15(13)22-14)10-1-3-11(4-2-10)26(24,25)21-7-8-23/h1-6,9,21,23H,7-8H2,(H,20,22).
What are the key properties of N-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide?
N-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide has a molecular weight of 385.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide is sourced from PubChem (CID 59744546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).