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

C11H13N5O6S2 — CID 139594334

IUPAC1-carbamoyl-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea
SMILESCCS(=O)(=O)c1nc2ccccn2c1S(=O)(=O)NC(=O)NC(N)=O
InChIInChI=1S/C11H13N5O6S2/c1-2-23(19,20)8-9(16-6-4-3-5-7(16)13-8)24(21,22)15-11(18)14-10(12)17/h3-6H,2H2,1H3,(H4,12,14,15,17,18)
InChIKeyBHWWJVNMPYFYSB-UHFFFAOYSA-N
MW375.39 g/mol
LogP-0.81
Rot. Bonds4

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

1-carbamoyl-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea (PubChem CID 139594334) has the molecular formula C11H13N5O6S2 and a molecular weight of 375.39 g/mol. Its IUPAC name is 1-carbamoyl-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea.

Molecular Properties

Compound Name1-carbamoyl-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea
PubChem CID139594334
Molecular FormulaC11H13N5O6S2
Molecular Weight375.39 g/mol
Exact Mass375.03
IUPAC Name1-carbamoyl-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea
SMILESCCS(=O)(=O)c1nc2ccccn2c1S(=O)(=O)NC(=O)NC(N)=O
InChIInChI=1S/C11H13N5O6S2/c1-2-23(19,20)8-9(16-6-4-3-5-7(16)13-8)24(21,22)15-11(18)14-10(12)17/h3-6H,2H2,1H3,(H4,12,14,15,17,18)
InChIKeyBHWWJVNMPYFYSB-UHFFFAOYSA-N
XLogP-0.81
TPSA169.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-carbamoyl-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea?
The IUPAC name of 1-carbamoyl-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea (CID 139594334) is 1-carbamoyl-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea.
What is the SMILES notation for 1-carbamoyl-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea?
The canonical SMILES for 1-carbamoyl-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea is CCS(=O)(=O)c1nc2ccccn2c1S(=O)(=O)NC(=O)NC(N)=O.
What is the InChIKey of 1-carbamoyl-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea?
The InChIKey is BHWWJVNMPYFYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O6S2/c1-2-23(19,20)8-9(16-6-4-3-5-7(16)13-8)24(21,22)15-11(18)14-10(12)17/h3-6H,2H2,1H3,(H4,12,14,15,17,18).
What are the key properties of 1-carbamoyl-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea?
1-carbamoyl-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea has a molecular weight of 375.39 g/mol, XLogP of -0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoyl-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea is sourced from PubChem (CID 139594334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).