N,N-bis(2-hydroxyethyl)quinoline-8-sulfonamide

C13H16N2O4S — CID 975246

IUPACN,N-bis(2-hydroxyethyl)quinoline-8-sulfonamide
SMILESO=S(=O)(c1cccc2cccnc12)N(CCO)CCO
InChIInChI=1S/C13H16N2O4S/c16-9-7-15(8-10-17)20(18,19)12-5-1-3-11-4-2-6-14-13(11)12/h1-6,16-17H,7-10H2
InChIKeyLYOIMABMEITIDK-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.21
Rot. Bonds6

About N,N-bis(2-hydroxyethyl)quinoline-8-sulfonamide

N,N-bis(2-hydroxyethyl)quinoline-8-sulfonamide (PubChem CID 975246) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)quinoline-8-sulfonamide
PubChem CID975246
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC NameN,N-bis(2-hydroxyethyl)quinoline-8-sulfonamide
SMILESO=S(=O)(c1cccc2cccnc12)N(CCO)CCO
InChIInChI=1S/C13H16N2O4S/c16-9-7-15(8-10-17)20(18,19)12-5-1-3-11-4-2-6-14-13(11)12/h1-6,16-17H,7-10H2
InChIKeyLYOIMABMEITIDK-UHFFFAOYSA-N
XLogP0.21
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)quinoline-8-sulfonamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)quinoline-8-sulfonamide (CID 975246) is N,N-bis(2-hydroxyethyl)quinoline-8-sulfonamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)quinoline-8-sulfonamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)quinoline-8-sulfonamide is O=S(=O)(c1cccc2cccnc12)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)quinoline-8-sulfonamide?
The InChIKey is LYOIMABMEITIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c16-9-7-15(8-10-17)20(18,19)12-5-1-3-11-4-2-6-14-13(11)12/h1-6,16-17H,7-10H2.
What are the key properties of N,N-bis(2-hydroxyethyl)quinoline-8-sulfonamide?
N,N-bis(2-hydroxyethyl)quinoline-8-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)quinoline-8-sulfonamide is sourced from PubChem (CID 975246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).