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

C12H14ClN3O2S2 — CID 60814815

IUPAC2-chloro-N-methyl-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCN(C1CCSC1)S(=O)(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C12H14ClN3O2S2/c1-15(9-5-7-19-8-9)20(17,18)12-11(13)14-10-4-2-3-6-16(10)12/h2-4,6,9H,5,7-8H2,1H3
InChIKeyXRSFYJOFSNXHQD-UHFFFAOYSA-N
MW331.85 g/mol
LogP2.11
Rot. Bonds3

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

2-chloro-N-methyl-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 60814815) has the molecular formula C12H14ClN3O2S2 and a molecular weight of 331.85 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID60814815
Molecular FormulaC12H14ClN3O2S2
Molecular Weight331.85 g/mol
Exact Mass331.02
IUPAC Name2-chloro-N-methyl-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCN(C1CCSC1)S(=O)(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C12H14ClN3O2S2/c1-15(9-5-7-19-8-9)20(17,18)12-11(13)14-10-4-2-3-6-16(10)12/h2-4,6,9H,5,7-8H2,1H3
InChIKeyXRSFYJOFSNXHQD-UHFFFAOYSA-N
XLogP2.11
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide (CID 60814815) is 2-chloro-N-methyl-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide is CN(C1CCSC1)S(=O)(=O)c1c(Cl)nc2ccccn12.
What is the InChIKey of 2-chloro-N-methyl-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is XRSFYJOFSNXHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S2/c1-15(9-5-7-19-8-9)20(17,18)12-11(13)14-10-4-2-3-6-16(10)12/h2-4,6,9H,5,7-8H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
2-chloro-N-methyl-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 331.85 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 60814815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).