2-chloro-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyridine-3-sulfonamide

C12H9Cl2N3O2S2 — CID 61073000

IUPAC2-chloro-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccc(Cl)s1)c1c(Cl)nc2ccccn12
InChIInChI=1S/C12H9Cl2N3O2S2/c13-9-5-4-8(20-9)7-15-21(18,19)12-11(14)16-10-3-1-2-6-17(10)12/h1-6,15H,7H2
InChIKeySXOJTACACAPJQJ-UHFFFAOYSA-N
MW362.26 g/mol
LogP3.18
Rot. Bonds4

About 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyridine-3-sulfonamide

2-chloro-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 61073000) has the molecular formula C12H9Cl2N3O2S2 and a molecular weight of 362.26 g/mol. Its IUPAC name is 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID61073000
Molecular FormulaC12H9Cl2N3O2S2
Molecular Weight362.26 g/mol
Exact Mass360.95
IUPAC Name2-chloro-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccc(Cl)s1)c1c(Cl)nc2ccccn12
InChIInChI=1S/C12H9Cl2N3O2S2/c13-9-5-4-8(20-9)7-15-21(18,19)12-11(14)16-10-3-1-2-6-17(10)12/h1-6,15H,7H2
InChIKeySXOJTACACAPJQJ-UHFFFAOYSA-N
XLogP3.18
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyridine-3-sulfonamide (CID 61073000) is 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyridine-3-sulfonamide is O=S(=O)(NCc1ccc(Cl)s1)c1c(Cl)nc2ccccn12.
What is the InChIKey of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is SXOJTACACAPJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2S2/c13-9-5-4-8(20-9)7-15-21(18,19)12-11(14)16-10-3-1-2-6-17(10)12/h1-6,15H,7H2.
What are the key properties of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyridine-3-sulfonamide?
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 362.26 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 61073000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).