2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide

C12H12ClN5O2S — CID 64518442

IUPAC2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C12H12ClN5O2S/c1-17(8-9-14-5-6-15-9)21(19,20)12-11(13)16-10-4-2-3-7-18(10)12/h2-7H,8H2,1H3,(H,14,15)
InChIKeyVNXKYLOTIOUYSH-UHFFFAOYSA-N
MW325.78 g/mol
LogP1.53
Rot. Bonds4

About 2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide

2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 64518442) has the molecular formula C12H12ClN5O2S and a molecular weight of 325.78 g/mol. Its IUPAC name is 2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID64518442
Molecular FormulaC12H12ClN5O2S
Molecular Weight325.78 g/mol
Exact Mass325.04
IUPAC Name2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C12H12ClN5O2S/c1-17(8-9-14-5-6-15-9)21(19,20)12-11(13)16-10-4-2-3-7-18(10)12/h2-7H,8H2,1H3,(H,14,15)
InChIKeyVNXKYLOTIOUYSH-UHFFFAOYSA-N
XLogP1.53
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide (CID 64518442) is 2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide is CN(Cc1ncc[nH]1)S(=O)(=O)c1c(Cl)nc2ccccn12.
What is the InChIKey of 2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is VNXKYLOTIOUYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O2S/c1-17(8-9-14-5-6-15-9)21(19,20)12-11(13)16-10-4-2-3-7-18(10)12/h2-7H,8H2,1H3,(H,14,15).
What are the key properties of 2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide?
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 325.78 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 64518442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).