4-hydroxy-N,N,4-trimethyl-2,3-dihydroquinoline-1-sulfonamide

C12H18N2O3S — CID 110709650

IUPAC4-hydroxy-N,N,4-trimethyl-2,3-dihydroquinoline-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(C)(O)c2ccccc21
InChIInChI=1S/C12H18N2O3S/c1-12(15)8-9-14(18(16,17)13(2)3)11-7-5-4-6-10(11)12/h4-7,15H,8-9H2,1-3H3
InChIKeyXEJLYGDYWNGDDU-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.91
Rot. Bonds2

About 4-hydroxy-N,N,4-trimethyl-2,3-dihydroquinoline-1-sulfonamide

4-hydroxy-N,N,4-trimethyl-2,3-dihydroquinoline-1-sulfonamide (PubChem CID 110709650) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-hydroxy-N,N,4-trimethyl-2,3-dihydroquinoline-1-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-N,N,4-trimethyl-2,3-dihydroquinoline-1-sulfonamide
PubChem CID110709650
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-hydroxy-N,N,4-trimethyl-2,3-dihydroquinoline-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(C)(O)c2ccccc21
InChIInChI=1S/C12H18N2O3S/c1-12(15)8-9-14(18(16,17)13(2)3)11-7-5-4-6-10(11)12/h4-7,15H,8-9H2,1-3H3
InChIKeyXEJLYGDYWNGDDU-UHFFFAOYSA-N
XLogP0.91
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,N,4-trimethyl-2,3-dihydroquinoline-1-sulfonamide?
The IUPAC name of 4-hydroxy-N,N,4-trimethyl-2,3-dihydroquinoline-1-sulfonamide (CID 110709650) is 4-hydroxy-N,N,4-trimethyl-2,3-dihydroquinoline-1-sulfonamide.
What is the SMILES notation for 4-hydroxy-N,N,4-trimethyl-2,3-dihydroquinoline-1-sulfonamide?
The canonical SMILES for 4-hydroxy-N,N,4-trimethyl-2,3-dihydroquinoline-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(C)(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-N,N,4-trimethyl-2,3-dihydroquinoline-1-sulfonamide?
The InChIKey is XEJLYGDYWNGDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-12(15)8-9-14(18(16,17)13(2)3)11-7-5-4-6-10(11)12/h4-7,15H,8-9H2,1-3H3.
What are the key properties of 4-hydroxy-N,N,4-trimethyl-2,3-dihydroquinoline-1-sulfonamide?
4-hydroxy-N,N,4-trimethyl-2,3-dihydroquinoline-1-sulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,N,4-trimethyl-2,3-dihydroquinoline-1-sulfonamide is sourced from PubChem (CID 110709650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).