2-chloro-N-(3-methylsulfinylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide

C11H14ClN3O3S2 — CID 115632039

IUPAC2-chloro-N-(3-methylsulfinylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCS(=O)CCCNS(=O)(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C11H14ClN3O3S2/c1-19(16)8-4-6-13-20(17,18)11-10(12)14-9-5-2-3-7-15(9)11/h2-3,5,7,13H,4,6,8H2,1H3
InChIKeyPMIQOVQEEBVZCG-UHFFFAOYSA-N
MW335.84 g/mol
LogP1.03
Rot. Bonds6

About 2-chloro-N-(3-methylsulfinylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide

2-chloro-N-(3-methylsulfinylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 115632039) has the molecular formula C11H14ClN3O3S2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 2-chloro-N-(3-methylsulfinylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylsulfinylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID115632039
Molecular FormulaC11H14ClN3O3S2
Molecular Weight335.84 g/mol
Exact Mass335.02
IUPAC Name2-chloro-N-(3-methylsulfinylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCS(=O)CCCNS(=O)(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C11H14ClN3O3S2/c1-19(16)8-4-6-13-20(17,18)11-10(12)14-9-5-2-3-7-15(9)11/h2-3,5,7,13H,4,6,8H2,1H3
InChIKeyPMIQOVQEEBVZCG-UHFFFAOYSA-N
XLogP1.03
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(Ethanesulfonyl)imidazo(1,2-a)pyridine-3-sulfonamide
CID 15477602
(2-Ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea
CID 91103679
Ulfosulfuron guanidine
CID 101134254
Sulfonylbiuret
CID 139594334
2-Chloroimidazo[1,2-a]pyridine-3-sulfonamide
CID 14422354
Imidazo(1,2-a)pyridine-3-sulfonamide
CID 14422439
Imidazo[1,2-a]pyridine-3-sulfonyl chloride
CID 53256697
Imidazo(1,2-a)pyridine-8-sulfonyl chloride
CID 83821677
Imidazo[1,2-a]pyridine-2-sulfonyl chloride
CID 121420066
6-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-pyridinesulfonamide
CID 902035
N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 47084788
2-Ethylsulfonylimidazo{1,2-a}pyridine
CID 22124225

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylsulfinylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(3-methylsulfinylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide (CID 115632039) is 2-chloro-N-(3-methylsulfinylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-methylsulfinylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-methylsulfinylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide is CS(=O)CCCNS(=O)(=O)c1c(Cl)nc2ccccn12.
What is the InChIKey of 2-chloro-N-(3-methylsulfinylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is PMIQOVQEEBVZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3S2/c1-19(16)8-4-6-13-20(17,18)11-10(12)14-9-5-2-3-7-15(9)11/h2-3,5,7,13H,4,6,8H2,1H3.
What are the key properties of 2-chloro-N-(3-methylsulfinylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide?
2-chloro-N-(3-methylsulfinylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 335.84 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylsulfinylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 115632039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).