N-[5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide

C18H11BrClFN4O2S — CID 46913314

IUPACN-[5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cnc3ccc(Br)cn23)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C18H11BrClFN4O2S/c19-12-1-6-17-22-9-16(25(17)10-12)11-7-15(18(20)23-8-11)24-28(26,27)14-4-2-13(21)3-5-14/h1-10,24H
InChIKeyJSIWQGUYWJBBDD-UHFFFAOYSA-N
MW481.73 g/mol
LogP4.75
Rot. Bonds4

About N-[5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide

N-[5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 46913314) has the molecular formula C18H11BrClFN4O2S and a molecular weight of 481.73 g/mol. Its IUPAC name is N-[5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID46913314
Molecular FormulaC18H11BrClFN4O2S
Molecular Weight481.73 g/mol
Exact Mass479.95
IUPAC NameN-[5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cnc3ccc(Br)cn23)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C18H11BrClFN4O2S/c19-12-1-6-17-22-9-16(25(17)10-12)11-7-15(18(20)23-8-11)24-28(26,27)14-4-2-13(21)3-5-14/h1-10,24H
InChIKeyJSIWQGUYWJBBDD-UHFFFAOYSA-N
XLogP4.75
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.73
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 46913314) is N-[5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(-c2cnc3ccc(Br)cn23)cnc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is JSIWQGUYWJBBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrClFN4O2S/c19-12-1-6-17-22-9-16(25(17)10-12)11-7-15(18(20)23-8-11)24-28(26,27)14-4-2-13(21)3-5-14/h1-10,24H.
What are the key properties of N-[5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 481.73 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 46913314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).