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

C13H16ClN3O2S2 — CID 80596561

IUPAC2-chloro-N-(thian-2-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCCCS1)c1c(Cl)nc2ccccn12
InChIInChI=1S/C13H16ClN3O2S2/c14-12-13(17-7-3-1-6-11(17)16-12)21(18,19)15-9-10-5-2-4-8-20-10/h1,3,6-7,10,15H,2,4-5,8-9H2
InChIKeyZJDSXFNVXCHSMC-UHFFFAOYSA-N
MW345.88 g/mol
LogP2.55
Rot. Bonds4

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

2-chloro-N-(thian-2-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 80596561) has the molecular formula C13H16ClN3O2S2 and a molecular weight of 345.88 g/mol. Its IUPAC name is 2-chloro-N-(thian-2-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(thian-2-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID80596561
Molecular FormulaC13H16ClN3O2S2
Molecular Weight345.88 g/mol
Exact Mass345.04
IUPAC Name2-chloro-N-(thian-2-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCCCS1)c1c(Cl)nc2ccccn12
InChIInChI=1S/C13H16ClN3O2S2/c14-12-13(17-7-3-1-6-11(17)16-12)21(18,19)15-9-10-5-2-4-8-20-10/h1,3,6-7,10,15H,2,4-5,8-9H2
InChIKeyZJDSXFNVXCHSMC-UHFFFAOYSA-N
XLogP2.55
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.88
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(cyclopentylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 47254422
2-chloro-N-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 47298748
2-chloro-N-(2-cyclopropylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 115591341
2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 63296964
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 61073000
2-chloro-N-(2-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62693085
2-chloro-N-(4-methylcyclohexyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 60812790
2-chloro-N-(3-ethoxypropyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 47254464
2-chloro-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 86849108
2-chloro-N-(2-methyl-2-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 115663368
2-chloro-N-[2-(dimethylamino)propyl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 61045081
2-chloro-N-thiophen-3-ylimidazo[1,2-a]pyridine-3-sulfonamide
CID 66352387

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(thian-2-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(thian-2-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide (CID 80596561) is 2-chloro-N-(thian-2-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(thian-2-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(thian-2-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide is O=S(=O)(NCC1CCCCS1)c1c(Cl)nc2ccccn12.
What is the InChIKey of 2-chloro-N-(thian-2-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is ZJDSXFNVXCHSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S2/c14-12-13(17-7-3-1-6-11(17)16-12)21(18,19)15-9-10-5-2-4-8-20-10/h1,3,6-7,10,15H,2,4-5,8-9H2.
What are the key properties of 2-chloro-N-(thian-2-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
2-chloro-N-(thian-2-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 345.88 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(thian-2-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 80596561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).