1-hydroxy-N-quinolin-3-ylpropane-2-sulfonamide

C12H14N2O3S — CID 114133809

IUPAC1-hydroxy-N-quinolin-3-ylpropane-2-sulfonamide
SMILESCC(CO)S(=O)(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C12H14N2O3S/c1-9(8-15)18(16,17)14-11-6-10-4-2-3-5-12(10)13-7-11/h2-7,9,14-15H,8H2,1H3
InChIKeyLRNDOJQYZQZHHG-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.36
Rot. Bonds4

About 1-hydroxy-N-quinolin-3-ylpropane-2-sulfonamide

1-hydroxy-N-quinolin-3-ylpropane-2-sulfonamide (PubChem CID 114133809) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-hydroxy-N-quinolin-3-ylpropane-2-sulfonamide.

Molecular Properties

Compound Name1-hydroxy-N-quinolin-3-ylpropane-2-sulfonamide
PubChem CID114133809
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name1-hydroxy-N-quinolin-3-ylpropane-2-sulfonamide
SMILESCC(CO)S(=O)(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C12H14N2O3S/c1-9(8-15)18(16,17)14-11-6-10-4-2-3-5-12(10)13-7-11/h2-7,9,14-15H,8H2,1H3
InChIKeyLRNDOJQYZQZHHG-UHFFFAOYSA-N
XLogP1.36
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-quinolin-3-ylpropane-2-sulfonamide?
The IUPAC name of 1-hydroxy-N-quinolin-3-ylpropane-2-sulfonamide (CID 114133809) is 1-hydroxy-N-quinolin-3-ylpropane-2-sulfonamide.
What is the SMILES notation for 1-hydroxy-N-quinolin-3-ylpropane-2-sulfonamide?
The canonical SMILES for 1-hydroxy-N-quinolin-3-ylpropane-2-sulfonamide is CC(CO)S(=O)(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of 1-hydroxy-N-quinolin-3-ylpropane-2-sulfonamide?
The InChIKey is LRNDOJQYZQZHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-9(8-15)18(16,17)14-11-6-10-4-2-3-5-12(10)13-7-11/h2-7,9,14-15H,8H2,1H3.
What are the key properties of 1-hydroxy-N-quinolin-3-ylpropane-2-sulfonamide?
1-hydroxy-N-quinolin-3-ylpropane-2-sulfonamide has a molecular weight of 266.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-quinolin-3-ylpropane-2-sulfonamide is sourced from PubChem (CID 114133809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).