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

C17H19N3O4S — CID 24984450

IUPACN-(2-hydroxyethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide
SMILESCC(O)c1cc2c(-c3ccc(S(=O)(=O)NCCO)cc3)ccnc2[nH]1
InChIInChI=1S/C17H19N3O4S/c1-11(22)16-10-15-14(6-7-18-17(15)20-16)12-2-4-13(5-3-12)25(23,24)19-8-9-21/h2-7,10-11,19,21-22H,8-9H2,1H3,(H,18,20)
InChIKeyOGPVQEFRGNWMJR-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.55
Rot. Bonds6

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

N-(2-hydroxyethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide (PubChem CID 24984450) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide
PubChem CID24984450
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-(2-hydroxyethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide
SMILESCC(O)c1cc2c(-c3ccc(S(=O)(=O)NCCO)cc3)ccnc2[nH]1
InChIInChI=1S/C17H19N3O4S/c1-11(22)16-10-15-14(6-7-18-17(15)20-16)12-2-4-13(5-3-12)25(23,24)19-8-9-21/h2-7,10-11,19,21-22H,8-9H2,1H3,(H,18,20)
InChIKeyOGPVQEFRGNWMJR-UHFFFAOYSA-N
XLogP1.55
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide (CID 24984450) is N-(2-hydroxyethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide is CC(O)c1cc2c(-c3ccc(S(=O)(=O)NCCO)cc3)ccnc2[nH]1.
What is the InChIKey of N-(2-hydroxyethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide?
The InChIKey is OGPVQEFRGNWMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-11(22)16-10-15-14(6-7-18-17(15)20-16)12-2-4-13(5-3-12)25(23,24)19-8-9-21/h2-7,10-11,19,21-22H,8-9H2,1H3,(H,18,20).
What are the key properties of N-(2-hydroxyethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide?
N-(2-hydroxyethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide has a molecular weight of 361.42 g/mol, XLogP of 1.55, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide is sourced from PubChem (CID 24984450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).