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

C17H20N4O3S — CID 24984614

IUPACN-(2-aminoethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide
SMILESCC(O)c1cc2c(-c3ccc(S(=O)(=O)NCCN)cc3)ccnc2[nH]1
InChIInChI=1S/C17H20N4O3S/c1-11(22)16-10-15-14(6-8-19-17(15)21-16)12-2-4-13(5-3-12)25(23,24)20-9-7-18/h2-6,8,10-11,20,22H,7,9,18H2,1H3,(H,19,21)
InChIKeyILPNTWQUUXZJEY-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.52
Rot. Bonds6

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

N-(2-aminoethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide (PubChem CID 24984614) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide
PubChem CID24984614
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-(2-aminoethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide
SMILESCC(O)c1cc2c(-c3ccc(S(=O)(=O)NCCN)cc3)ccnc2[nH]1
InChIInChI=1S/C17H20N4O3S/c1-11(22)16-10-15-14(6-8-19-17(15)21-16)12-2-4-13(5-3-12)25(23,24)20-9-7-18/h2-6,8,10-11,20,22H,7,9,18H2,1H3,(H,19,21)
InChIKeyILPNTWQUUXZJEY-UHFFFAOYSA-N
XLogP1.52
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide (CID 24984614) is N-(2-aminoethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide is CC(O)c1cc2c(-c3ccc(S(=O)(=O)NCCN)cc3)ccnc2[nH]1.
What is the InChIKey of N-(2-aminoethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide?
The InChIKey is ILPNTWQUUXZJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-11(22)16-10-15-14(6-8-19-17(15)21-16)12-2-4-13(5-3-12)25(23,24)20-9-7-18/h2-6,8,10-11,20,22H,7,9,18H2,1H3,(H,19,21).
What are the key properties of N-(2-aminoethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide?
N-(2-aminoethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 1.52, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide is sourced from PubChem (CID 24984614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).