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

C19H13BrClFN4O2S — CID 46913313

IUPACN-[5-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCc1nc2ccc(Br)cn2c1-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H13BrClFN4O2S/c1-11-18(26-10-13(20)2-7-17(26)24-11)12-8-16(19(21)23-9-12)25-29(27,28)15-5-3-14(22)4-6-15/h2-10,25H,1H3
InChIKeyJPISZRQPTVQSIG-UHFFFAOYSA-N
MW495.76 g/mol
LogP5.06
Rot. Bonds4

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

N-[5-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 46913313) has the molecular formula C19H13BrClFN4O2S and a molecular weight of 495.76 g/mol. Its IUPAC name is N-[5-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID46913313
Molecular FormulaC19H13BrClFN4O2S
Molecular Weight495.76 g/mol
Exact Mass493.96
IUPAC NameN-[5-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCc1nc2ccc(Br)cn2c1-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H13BrClFN4O2S/c1-11-18(26-10-13(20)2-7-17(26)24-11)12-8-16(19(21)23-9-12)25-29(27,28)15-5-3-14(22)4-6-15/h2-10,25H,1H3
InChIKeyJPISZRQPTVQSIG-UHFFFAOYSA-N
XLogP5.06
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.76
LogP ≤ 55.06
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-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[5-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 46913313) is N-[5-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[5-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide is Cc1nc2ccc(Br)cn2c1-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[5-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is JPISZRQPTVQSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrClFN4O2S/c1-11-18(26-10-13(20)2-7-17(26)24-11)12-8-16(19(21)23-9-12)25-29(27,28)15-5-3-14(22)4-6-15/h2-10,25H,1H3.
What are the key properties of N-[5-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[5-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 495.76 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 46913313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).