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

C12H11ClN4O2S — CID 106384668

IUPAC2-chloro-N-(1H-pyrrol-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1cc[nH]c1)c1c(Cl)nc2ccccn12
InChIInChI=1S/C12H11ClN4O2S/c13-11-12(17-6-2-1-3-10(17)16-11)20(18,19)15-8-9-4-5-14-7-9/h1-7,14-15H,8H2
InChIKeyGPOOMINJZYEQIL-UHFFFAOYSA-N
MW310.77 g/mol
LogP1.79
Rot. Bonds4

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

2-chloro-N-(1H-pyrrol-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 106384668) has the molecular formula C12H11ClN4O2S and a molecular weight of 310.77 g/mol. Its IUPAC name is 2-chloro-N-(1H-pyrrol-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1H-pyrrol-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID106384668
Molecular FormulaC12H11ClN4O2S
Molecular Weight310.77 g/mol
Exact Mass310.03
IUPAC Name2-chloro-N-(1H-pyrrol-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1cc[nH]c1)c1c(Cl)nc2ccccn12
InChIInChI=1S/C12H11ClN4O2S/c13-11-12(17-6-2-1-3-10(17)16-11)20(18,19)15-8-9-4-5-14-7-9/h1-7,14-15H,8H2
InChIKeyGPOOMINJZYEQIL-UHFFFAOYSA-N
XLogP1.79
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.77
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1H-pyrrol-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(1H-pyrrol-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide (CID 106384668) is 2-chloro-N-(1H-pyrrol-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1H-pyrrol-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(1H-pyrrol-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide is O=S(=O)(NCc1cc[nH]c1)c1c(Cl)nc2ccccn12.
What is the InChIKey of 2-chloro-N-(1H-pyrrol-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is GPOOMINJZYEQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2S/c13-11-12(17-6-2-1-3-10(17)16-11)20(18,19)15-8-9-4-5-14-7-9/h1-7,14-15H,8H2.
What are the key properties of 2-chloro-N-(1H-pyrrol-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
2-chloro-N-(1H-pyrrol-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 310.77 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1H-pyrrol-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 106384668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).