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

C18H12ClFN4O2S — CID 53387411

IUPACN-(2-chloro-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nccn3c2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C18H12ClFN4O2S/c19-18-16(23-27(25,26)15-4-2-14(20)3-5-15)9-13(10-22-18)12-1-6-17-21-7-8-24(17)11-12/h1-11,23H
InChIKeyDNCWCPDSMUNNAM-UHFFFAOYSA-N
MW402.84 g/mol
LogP3.99
Rot. Bonds4

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

N-(2-chloro-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide (PubChem CID 53387411) has the molecular formula C18H12ClFN4O2S and a molecular weight of 402.84 g/mol. Its IUPAC name is N-(2-chloro-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide
PubChem CID53387411
Molecular FormulaC18H12ClFN4O2S
Molecular Weight402.84 g/mol
Exact Mass402.04
IUPAC NameN-(2-chloro-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nccn3c2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C18H12ClFN4O2S/c19-18-16(23-27(25,26)15-4-2-14(20)3-5-15)9-13(10-22-18)12-1-6-17-21-7-8-24(17)11-12/h1-11,23H
InChIKeyDNCWCPDSMUNNAM-UHFFFAOYSA-N
XLogP3.99
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 53.99
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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Related Compounds

CID 5288527
CID 5288527
CID 23652981
CID 23652981
CID 44124863
CID 44124863
CID 52936958
CID 52936958
CID 52937066
CID 52937066
CID 71460978
CID 71460978
CID 135156190
CID 135156190
CID 135156454
CID 135156454
CID 135156501
CID 135156501
CID 141461671
CID 141461671
CID 145977475
CID 145977475
CID 145966764
CID 145966764

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2-chloro-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide (CID 53387411) is N-(2-chloro-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-chloro-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(-c2ccc3nccn3c2)cnc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-(2-chloro-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide?
The InChIKey is DNCWCPDSMUNNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4O2S/c19-18-16(23-27(25,26)15-4-2-14(20)3-5-15)9-13(10-22-18)12-1-6-17-21-7-8-24(17)11-12/h1-11,23H.
What are the key properties of N-(2-chloro-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide?
N-(2-chloro-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide has a molecular weight of 402.84 g/mol, XLogP of 3.99, 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-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 53387411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).