[4-(2-oxo-1H-quinolin-3-yl)phenyl] sulfamate

C15H12N2O4S — CID 11989630

IUPAC[4-(2-oxo-1H-quinolin-3-yl)phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(-c2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C15H12N2O4S/c16-22(19,20)21-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)17-15(13)18/h1-9H,(H,17,18)(H2,16,19,20)
InChIKeyIHCNMPFQTHEJCU-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.78
Rot. Bonds3

About [4-(2-oxo-1H-quinolin-3-yl)phenyl] sulfamate

[4-(2-oxo-1H-quinolin-3-yl)phenyl] sulfamate (PubChem CID 11989630) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is [4-(2-oxo-1H-quinolin-3-yl)phenyl] sulfamate.

Molecular Properties

Compound Name[4-(2-oxo-1H-quinolin-3-yl)phenyl] sulfamate
PubChem CID11989630
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC Name[4-(2-oxo-1H-quinolin-3-yl)phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(-c2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C15H12N2O4S/c16-22(19,20)21-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)17-15(13)18/h1-9H,(H,17,18)(H2,16,19,20)
InChIKeyIHCNMPFQTHEJCU-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

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Related Compounds

2-(2-oxo-1H-quinolin-3-yl)-1H-indole-6-sulfonamide
CID 142239743
3-(3-hydroxyphenyl)-1H-quinolin-2-one
CID 11989516
3-(2,6-diphenyl-4-pyridinyl)-1H-quinolin-2-one
CID 25231803
3-(3-chlorophenyl)-1H-quinolin-2-one
CID 152763617
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1H-quinolin-2-one
CID 155962167
6-amino-3-phenyl-1H-quinolin-2-one
CID 118872239
3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one
CID 22668309
3-hydroxy-1H-quinolin-2-one
CID 818159
3-hydroxy-1H-quinolin-2-one
CID 162237175
3-(5-hydroxy-2H-1,2,3-benzothiadiazin-4-yl)-1H-quinolin-2-one
CID 143862090
3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 174398264
3-(3-hydroxynaphthalene-2-carbonyl)-1H-quinolin-2-one
CID 628875

Frequently Asked Questions

What is the IUPAC name of [4-(2-oxo-1H-quinolin-3-yl)phenyl] sulfamate?
The IUPAC name of [4-(2-oxo-1H-quinolin-3-yl)phenyl] sulfamate (CID 11989630) is [4-(2-oxo-1H-quinolin-3-yl)phenyl] sulfamate.
What is the SMILES notation for [4-(2-oxo-1H-quinolin-3-yl)phenyl] sulfamate?
The canonical SMILES for [4-(2-oxo-1H-quinolin-3-yl)phenyl] sulfamate is NS(=O)(=O)Oc1ccc(-c2cc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of [4-(2-oxo-1H-quinolin-3-yl)phenyl] sulfamate?
The InChIKey is IHCNMPFQTHEJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c16-22(19,20)21-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)17-15(13)18/h1-9H,(H,17,18)(H2,16,19,20).
What are the key properties of [4-(2-oxo-1H-quinolin-3-yl)phenyl] sulfamate?
[4-(2-oxo-1H-quinolin-3-yl)phenyl] 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-(2-oxo-1H-quinolin-3-yl)phenyl] sulfamate is sourced from PubChem (CID 11989630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).