N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide

C19H17N3O3S — CID 5228855

IUPACN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide
SMILESO=S(=O)(NCCc1c[nH]c2ccc(O)cc12)c1cccc2cccnc12
InChIInChI=1S/C19H17N3O3S/c23-15-6-7-17-16(11-15)14(12-21-17)8-10-22-26(24,25)18-5-1-3-13-4-2-9-20-19(13)18/h1-7,9,11-12,21-23H,8,10H2
InChIKeyBFJXVCUOGAZFTO-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.94
Rot. Bonds5

About N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide

N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide (PubChem CID 5228855) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide
PubChem CID5228855
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide
SMILESO=S(=O)(NCCc1c[nH]c2ccc(O)cc12)c1cccc2cccnc12
InChIInChI=1S/C19H17N3O3S/c23-15-6-7-17-16(11-15)14(12-21-17)8-10-22-26(24,25)18-5-1-3-13-4-2-9-20-19(13)18/h1-7,9,11-12,21-23H,8,10H2
InChIKeyBFJXVCUOGAZFTO-UHFFFAOYSA-N
XLogP2.94
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide?
The IUPAC name of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide (CID 5228855) is N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide is O=S(=O)(NCCc1c[nH]c2ccc(O)cc12)c1cccc2cccnc12.
What is the InChIKey of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide?
The InChIKey is BFJXVCUOGAZFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c23-15-6-7-17-16(11-15)14(12-21-17)8-10-22-26(24,25)18-5-1-3-13-4-2-9-20-19(13)18/h1-7,9,11-12,21-23H,8,10H2.
What are the key properties of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide?
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide has a molecular weight of 367.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide is sourced from PubChem (CID 5228855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).