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

C19H14ClFN4O2S — CID 46913214

IUPACN-[2-chloro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCc1nc2ccccn2c1-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H14ClFN4O2S/c1-12-18(25-9-3-2-4-17(25)23-12)13-10-16(19(20)22-11-13)24-28(26,27)15-7-5-14(21)6-8-15/h2-11,24H,1H3
InChIKeyJTVJMRXPPATEJN-UHFFFAOYSA-N
MW416.87 g/mol
LogP4.30
Rot. Bonds4

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

N-[2-chloro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 46913214) has the molecular formula C19H14ClFN4O2S and a molecular weight of 416.87 g/mol. Its IUPAC name is N-[2-chloro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID46913214
Molecular FormulaC19H14ClFN4O2S
Molecular Weight416.87 g/mol
Exact Mass416.05
IUPAC NameN-[2-chloro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCc1nc2ccccn2c1-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H14ClFN4O2S/c1-12-18(25-9-3-2-4-17(25)23-12)13-10-16(19(20)22-11-13)24-28(26,27)15-7-5-14(21)6-8-15/h2-11,24H,1H3
InChIKeyJTVJMRXPPATEJN-UHFFFAOYSA-N
XLogP4.30
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 54.30
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-[2-chloro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 46913214) is N-[2-chloro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide is Cc1nc2ccccn2c1-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[2-chloro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is JTVJMRXPPATEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O2S/c1-12-18(25-9-3-2-4-17(25)23-12)13-10-16(19(20)22-11-13)24-28(26,27)15-7-5-14(21)6-8-15/h2-11,24H,1H3.
What are the key properties of N-[2-chloro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[2-chloro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 416.87 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 46913214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).