2-chloro-N-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridine-3-sulfonamide

C11H12ClN3O3S — CID 113351338

IUPAC2-chloro-N-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1(CO)CC1)c1c(Cl)nc2ccccn12
InChIInChI=1S/C11H12ClN3O3S/c12-9-10(15-6-2-1-3-8(15)13-9)19(17,18)14-11(7-16)4-5-11/h1-3,6,14,16H,4-5,7H2
InChIKeyZDNYDURXSMIEBK-UHFFFAOYSA-N
MW301.75 g/mol
LogP0.79
Rot. Bonds4

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

2-chloro-N-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 113351338) has the molecular formula C11H12ClN3O3S and a molecular weight of 301.75 g/mol. Its IUPAC name is 2-chloro-N-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID113351338
Molecular FormulaC11H12ClN3O3S
Molecular Weight301.75 g/mol
Exact Mass301.03
IUPAC Name2-chloro-N-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1(CO)CC1)c1c(Cl)nc2ccccn12
InChIInChI=1S/C11H12ClN3O3S/c12-9-10(15-6-2-1-3-8(15)13-9)19(17,18)14-11(7-16)4-5-11/h1-3,6,14,16H,4-5,7H2
InChIKeyZDNYDURXSMIEBK-UHFFFAOYSA-N
XLogP0.79
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridine-3-sulfonamide (CID 113351338) is 2-chloro-N-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridine-3-sulfonamide is O=S(=O)(NC1(CO)CC1)c1c(Cl)nc2ccccn12.
What is the InChIKey of 2-chloro-N-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is ZDNYDURXSMIEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S/c12-9-10(15-6-2-1-3-8(15)13-9)19(17,18)14-11(7-16)4-5-11/h1-3,6,14,16H,4-5,7H2.
What are the key properties of 2-chloro-N-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridine-3-sulfonamide?
2-chloro-N-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 301.75 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 113351338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).