(4-oxo-3-phenyl-1H-quinolin-7-yl) sulfamate

C15H12N2O4S — CID 23553028

IUPAC(4-oxo-3-phenyl-1H-quinolin-7-yl) sulfamate
SMILESNS(=O)(=O)Oc1ccc2c(=O)c(-c3ccccc3)c[nH]c2c1
InChIInChI=1S/C15H12N2O4S/c16-22(19,20)21-11-6-7-12-14(8-11)17-9-13(15(12)18)10-4-2-1-3-5-10/h1-9H,(H,17,18)(H2,16,19,20)
InChIKeyIVXXTMNVHAZOOY-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.78
Rot. Bonds3

About (4-oxo-3-phenyl-1H-quinolin-7-yl) sulfamate

(4-oxo-3-phenyl-1H-quinolin-7-yl) sulfamate (PubChem CID 23553028) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is (4-oxo-3-phenyl-1H-quinolin-7-yl) sulfamate.

Molecular Properties

Compound Name(4-oxo-3-phenyl-1H-quinolin-7-yl) sulfamate
PubChem CID23553028
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC Name(4-oxo-3-phenyl-1H-quinolin-7-yl) sulfamate
SMILESNS(=O)(=O)Oc1ccc2c(=O)c(-c3ccccc3)c[nH]c2c1
InChIInChI=1S/C15H12N2O4S/c16-22(19,20)21-11-6-7-12-14(8-11)17-9-13(15(12)18)10-4-2-1-3-5-10/h1-9H,(H,17,18)(H2,16,19,20)
InChIKeyIVXXTMNVHAZOOY-UHFFFAOYSA-N
XLogP1.78
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-oxo-3-phenyl-1H-quinolin-7-yl) sulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-oxo-3-phenyl-1H-quinolin-7-yl) sulfamate?
The IUPAC name of (4-oxo-3-phenyl-1H-quinolin-7-yl) sulfamate (CID 23553028) is (4-oxo-3-phenyl-1H-quinolin-7-yl) sulfamate.
What is the SMILES notation for (4-oxo-3-phenyl-1H-quinolin-7-yl) sulfamate?
The canonical SMILES for (4-oxo-3-phenyl-1H-quinolin-7-yl) sulfamate is NS(=O)(=O)Oc1ccc2c(=O)c(-c3ccccc3)c[nH]c2c1.
What is the InChIKey of (4-oxo-3-phenyl-1H-quinolin-7-yl) sulfamate?
The InChIKey is IVXXTMNVHAZOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c16-22(19,20)21-11-6-7-12-14(8-11)17-9-13(15(12)18)10-4-2-1-3-5-10/h1-9H,(H,17,18)(H2,16,19,20).
What are the key properties of (4-oxo-3-phenyl-1H-quinolin-7-yl) sulfamate?
(4-oxo-3-phenyl-1H-quinolin-7-yl) sulfamate has a molecular weight of 316.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3-phenyl-1H-quinolin-7-yl) sulfamate is sourced from PubChem (CID 23553028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).