N-[3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)phenyl]methanesulfonamide

C15H15N3O2S2 — CID 139888929

IUPACN-[3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(CSc2cccc3nccn23)c1
InChIInChI=1S/C15H15N3O2S2/c1-22(19,20)17-13-5-2-4-12(10-13)11-21-15-7-3-6-14-16-8-9-18(14)15/h2-10,17H,11H2,1H3
InChIKeyIIKZQSIRBCOGFP-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.00
Rot. Bonds5

About N-[3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)phenyl]methanesulfonamide

N-[3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)phenyl]methanesulfonamide (PubChem CID 139888929) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)phenyl]methanesulfonamide
PubChem CID139888929
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC NameN-[3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(CSc2cccc3nccn23)c1
InChIInChI=1S/C15H15N3O2S2/c1-22(19,20)17-13-5-2-4-12(10-13)11-21-15-7-3-6-14-16-8-9-18(14)15/h2-10,17H,11H2,1H3
InChIKeyIIKZQSIRBCOGFP-UHFFFAOYSA-N
XLogP3.00
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)phenyl]methanesulfonamide (CID 139888929) is N-[3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(CSc2cccc3nccn23)c1.
What is the InChIKey of N-[3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)phenyl]methanesulfonamide?
The InChIKey is IIKZQSIRBCOGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-22(19,20)17-13-5-2-4-12(10-13)11-21-15-7-3-6-14-16-8-9-18(14)15/h2-10,17H,11H2,1H3.
What are the key properties of N-[3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)phenyl]methanesulfonamide?
N-[3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)phenyl]methanesulfonamide has a molecular weight of 333.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 139888929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).