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

C12H16ClN3O2S2 — CID 115663368

IUPAC2-chloro-N-(2-methyl-2-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCSC(C)(C)CNS(=O)(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C12H16ClN3O2S2/c1-12(2,19-3)8-14-20(17,18)11-10(13)15-9-6-4-5-7-16(9)11/h4-7,14H,8H2,1-3H3
InChIKeyWAHAOMXSDNKVLS-UHFFFAOYSA-N
MW333.87 g/mol
LogP2.41
Rot. Bonds5

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

2-chloro-N-(2-methyl-2-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 115663368) has the molecular formula C12H16ClN3O2S2 and a molecular weight of 333.87 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-2-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-2-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID115663368
Molecular FormulaC12H16ClN3O2S2
Molecular Weight333.87 g/mol
Exact Mass333.04
IUPAC Name2-chloro-N-(2-methyl-2-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCSC(C)(C)CNS(=O)(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C12H16ClN3O2S2/c1-12(2,19-3)8-14-20(17,18)11-10(13)15-9-6-4-5-7-16(9)11/h4-7,14H,8H2,1-3H3
InChIKeyWAHAOMXSDNKVLS-UHFFFAOYSA-N
XLogP2.41
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.87
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
N-((8-methylimidazo[1,2-a]pyridin-2-yl)methyl)propane-1-sulfonamide
CID 3238358
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-2-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(2-methyl-2-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide (CID 115663368) is 2-chloro-N-(2-methyl-2-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-2-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-methyl-2-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide is CSC(C)(C)CNS(=O)(=O)c1c(Cl)nc2ccccn12.
What is the InChIKey of 2-chloro-N-(2-methyl-2-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is WAHAOMXSDNKVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2S2/c1-12(2,19-3)8-14-20(17,18)11-10(13)15-9-6-4-5-7-16(9)11/h4-7,14H,8H2,1-3H3.
What are the key properties of 2-chloro-N-(2-methyl-2-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide?
2-chloro-N-(2-methyl-2-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 333.87 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-2-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 115663368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).