2,4-difluoro-N-[3-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]phenyl]benzenesulfonamide

C24H20F2N4O4S — CID 71251006

IUPAC2,4-difluoro-N-[3-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]phenyl]benzenesulfonamide
SMILESO=C(c1cnc2ccc(-c3cccc(NS(=O)(=O)c4ccc(F)cc4F)c3)cn12)N1CCOCC1
InChIInChI=1S/C24H20F2N4O4S/c25-18-5-6-22(20(26)13-18)35(32,33)28-19-3-1-2-16(12-19)17-4-7-23-27-14-21(30(23)15-17)24(31)29-8-10-34-11-9-29/h1-7,12-15,28H,8-11H2
InChIKeyGETJZOXQNUEBPB-UHFFFAOYSA-N
MW498.51 g/mol
LogP3.55
Rot. Bonds5

About 2,4-difluoro-N-[3-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]phenyl]benzenesulfonamide

2,4-difluoro-N-[3-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]phenyl]benzenesulfonamide (PubChem CID 71251006) has the molecular formula C24H20F2N4O4S and a molecular weight of 498.51 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]phenyl]benzenesulfonamide
PubChem CID71251006
Molecular FormulaC24H20F2N4O4S
Molecular Weight498.51 g/mol
Exact Mass498.12
IUPAC Name2,4-difluoro-N-[3-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]phenyl]benzenesulfonamide
SMILESO=C(c1cnc2ccc(-c3cccc(NS(=O)(=O)c4ccc(F)cc4F)c3)cn12)N1CCOCC1
InChIInChI=1S/C24H20F2N4O4S/c25-18-5-6-22(20(26)13-18)35(32,33)28-19-3-1-2-16(12-19)17-4-7-23-27-14-21(30(23)15-17)24(31)29-8-10-34-11-9-29/h1-7,12-15,28H,8-11H2
InChIKeyGETJZOXQNUEBPB-UHFFFAOYSA-N
XLogP3.55
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.51
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]phenyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[3-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]phenyl]benzenesulfonamide (CID 71251006) is 2,4-difluoro-N-[3-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[3-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[3-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]phenyl]benzenesulfonamide is O=C(c1cnc2ccc(-c3cccc(NS(=O)(=O)c4ccc(F)cc4F)c3)cn12)N1CCOCC1.
What is the InChIKey of 2,4-difluoro-N-[3-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]phenyl]benzenesulfonamide?
The InChIKey is GETJZOXQNUEBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O4S/c25-18-5-6-22(20(26)13-18)35(32,33)28-19-3-1-2-16(12-19)17-4-7-23-27-14-21(30(23)15-17)24(31)29-8-10-34-11-9-29/h1-7,12-15,28H,8-11H2.
What are the key properties of 2,4-difluoro-N-[3-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]phenyl]benzenesulfonamide?
2,4-difluoro-N-[3-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]phenyl]benzenesulfonamide has a molecular weight of 498.51 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 71251006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).