(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea

C10H12N4O5S2 — CID 91103679

IUPAC(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea
SMILESCCS(=O)(=O)c1nc2ccccn2c1S(=O)(=O)NC(N)=O
InChIInChI=1S/C10H12N4O5S2/c1-2-20(16,17)8-9(21(18,19)13-10(11)15)14-6-4-3-5-7(14)12-8/h3-6H,2H2,1H3,(H3,11,13,15)
InChIKeyXOHMJAPFRWCQMP-UHFFFAOYSA-N
MW332.36 g/mol
LogP-0.52
Rot. Bonds4

About (2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea

(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea (PubChem CID 91103679) has the molecular formula C10H12N4O5S2 and a molecular weight of 332.36 g/mol. Its IUPAC name is (2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea.

Molecular Properties

Compound Name(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea
PubChem CID91103679
Molecular FormulaC10H12N4O5S2
Molecular Weight332.36 g/mol
Exact Mass332.02
IUPAC Name(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea
SMILESCCS(=O)(=O)c1nc2ccccn2c1S(=O)(=O)NC(N)=O
InChIInChI=1S/C10H12N4O5S2/c1-2-20(16,17)8-9(21(18,19)13-10(11)15)14-6-4-3-5-7(14)12-8/h3-6H,2H2,1H3,(H3,11,13,15)
InChIKeyXOHMJAPFRWCQMP-UHFFFAOYSA-N
XLogP-0.52
TPSA140.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea?
The IUPAC name of (2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea (CID 91103679) is (2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea.
What is the SMILES notation for (2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea?
The canonical SMILES for (2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea is CCS(=O)(=O)c1nc2ccccn2c1S(=O)(=O)NC(N)=O.
What is the InChIKey of (2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea?
The InChIKey is XOHMJAPFRWCQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O5S2/c1-2-20(16,17)8-9(21(18,19)13-10(11)15)14-6-4-3-5-7(14)12-8/h3-6H,2H2,1H3,(H3,11,13,15).
What are the key properties of (2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea?
(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea has a molecular weight of 332.36 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea is sourced from PubChem (CID 91103679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).