4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide

C14H12FN3O2S — CID 3608963

IUPAC4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cn2ccccc2n1)c1ccc(F)cc1
InChIInChI=1S/C14H12FN3O2S/c15-11-4-6-13(7-5-11)21(19,20)16-9-12-10-18-8-2-1-3-14(18)17-12/h1-8,10,16H,9H2
InChIKeyAKYCTWCCBNDXLM-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.95
Rot. Bonds4

About 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide

4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 3608963) has the molecular formula C14H12FN3O2S and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID3608963
Molecular FormulaC14H12FN3O2S
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC Name4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cn2ccccc2n1)c1ccc(F)cc1
InChIInChI=1S/C14H12FN3O2S/c15-11-4-6-13(7-5-11)21(19,20)16-9-12-10-18-8-2-1-3-14(18)17-12/h1-8,10,16H,9H2
InChIKeyAKYCTWCCBNDXLM-UHFFFAOYSA-N
XLogP1.95
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide (CID 3608963) is 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cn2ccccc2n1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is AKYCTWCCBNDXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S/c15-11-4-6-13(7-5-11)21(19,20)16-9-12-10-18-8-2-1-3-14(18)17-12/h1-8,10,16H,9H2.
What are the key properties of 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide?
4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 305.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 3608963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).