2-chloro-N-[3-(dimethylamino)propyl]imidazo[1,2-a]pyridine-3-sulfonamide

C12H17ClN4O2S — CID 60812797

IUPAC2-chloro-N-[3-(dimethylamino)propyl]imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C12H17ClN4O2S/c1-16(2)8-5-7-14-20(18,19)12-11(13)15-10-6-3-4-9-17(10)12/h3-4,6,9,14H,5,7-8H2,1-2H3
InChIKeyGWFKWOCGGCMMFT-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.22
Rot. Bonds6

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

2-chloro-N-[3-(dimethylamino)propyl]imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 60812797) has the molecular formula C12H17ClN4O2S and a molecular weight of 316.81 g/mol. Its IUPAC name is 2-chloro-N-[3-(dimethylamino)propyl]imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(dimethylamino)propyl]imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID60812797
Molecular FormulaC12H17ClN4O2S
Molecular Weight316.81 g/mol
Exact Mass316.08
IUPAC Name2-chloro-N-[3-(dimethylamino)propyl]imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C12H17ClN4O2S/c1-16(2)8-5-7-14-20(18,19)12-11(13)15-10-6-3-4-9-17(10)12/h3-4,6,9,14H,5,7-8H2,1-2H3
InChIKeyGWFKWOCGGCMMFT-UHFFFAOYSA-N
XLogP1.22
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(Ethanesulfonyl)imidazo(1,2-a)pyridine-3-sulfonamide
CID 15477602
(2-Ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea
CID 91103679
Ulfosulfuron guanidine
CID 101134254
Sulfonylbiuret
CID 139594334
2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide
CID 16195005
N-((8-methylimidazo[1,2-a]pyridin-2-yl)methyl)propane-1-sulfonamide
CID 3238358
2-Chloroimidazo[1,2-a]pyridine-3-sulfonamide
CID 14422354
Imidazo(1,2-a)pyridine-3-sulfonamide
CID 14422439
Imidazo[1,2-a]pyridine-3-sulfonyl chloride
CID 53256697
Imidazo(1,2-a)pyridine-8-sulfonyl chloride
CID 83821677
Imidazo[1,2-a]pyridine-2-sulfonyl chloride
CID 121420066
N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 47084788

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(dimethylamino)propyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[3-(dimethylamino)propyl]imidazo[1,2-a]pyridine-3-sulfonamide (CID 60812797) is 2-chloro-N-[3-(dimethylamino)propyl]imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(dimethylamino)propyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[3-(dimethylamino)propyl]imidazo[1,2-a]pyridine-3-sulfonamide is CN(C)CCCNS(=O)(=O)c1c(Cl)nc2ccccn12.
What is the InChIKey of 2-chloro-N-[3-(dimethylamino)propyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is GWFKWOCGGCMMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2S/c1-16(2)8-5-7-14-20(18,19)12-11(13)15-10-6-3-4-9-17(10)12/h3-4,6,9,14H,5,7-8H2,1-2H3.
What are the key properties of 2-chloro-N-[3-(dimethylamino)propyl]imidazo[1,2-a]pyridine-3-sulfonamide?
2-chloro-N-[3-(dimethylamino)propyl]imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 316.81 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(dimethylamino)propyl]imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 60812797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).