quinolin-3-ylsulfonylurea

C10H9N3O3S — CID 163964326

IUPACquinolin-3-ylsulfonylurea
SMILESNC(=O)NS(=O)(=O)c1cnc2ccccc2c1
InChIInChI=1S/C10H9N3O3S/c11-10(14)13-17(15,16)8-5-7-3-1-2-4-9(7)12-6-8/h1-6H,(H3,11,13,14)
InChIKeySKHUTDQXYQTYHW-UHFFFAOYSA-N
MW251.27 g/mol
LogP0.59
Rot. Bonds2

About quinolin-3-ylsulfonylurea

quinolin-3-ylsulfonylurea (PubChem CID 163964326) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is quinolin-3-ylsulfonylurea.

Molecular Properties

Compound Namequinolin-3-ylsulfonylurea
PubChem CID163964326
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Namequinolin-3-ylsulfonylurea
SMILESNC(=O)NS(=O)(=O)c1cnc2ccccc2c1
InChIInChI=1S/C10H9N3O3S/c11-10(14)13-17(15,16)8-5-7-3-1-2-4-9(7)12-6-8/h1-6H,(H3,11,13,14)
InChIKeySKHUTDQXYQTYHW-UHFFFAOYSA-N
XLogP0.59
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(trifluoromethylsulfonyl)quinoline
CID 154703150
3-tert-butylsulfonylquinoline
CID 59614790
quinoline-3-carboxamide;hydrofluoride
CID 174911514
ethane;N-quinolin-3-ylbenzenesulfonamide
CID 90950237
3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide
CID 52553671
N-quinolin-3-ylhydroxylamine
CID 54286324
N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)quinoline-3-sulfonamide
CID 99800703
(2R)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide
CID 29330454
(2S)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide
CID 29330456
3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
CID 795443
2,3,4,5,6-pentamethyl-N-quinolin-3-ylbenzenesulfonamide
CID 3863946
methyl N-quinolin-3-ylcarbamate
CID 19697860

Frequently Asked Questions

What is the IUPAC name of quinolin-3-ylsulfonylurea?
The IUPAC name of quinolin-3-ylsulfonylurea (CID 163964326) is quinolin-3-ylsulfonylurea.
What is the SMILES notation for quinolin-3-ylsulfonylurea?
The canonical SMILES for quinolin-3-ylsulfonylurea is NC(=O)NS(=O)(=O)c1cnc2ccccc2c1.
What is the InChIKey of quinolin-3-ylsulfonylurea?
The InChIKey is SKHUTDQXYQTYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c11-10(14)13-17(15,16)8-5-7-3-1-2-4-9(7)12-6-8/h1-6H,(H3,11,13,14).
What are the key properties of quinolin-3-ylsulfonylurea?
quinolin-3-ylsulfonylurea has a molecular weight of 251.27 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-3-ylsulfonylurea is sourced from PubChem (CID 163964326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).