2,4-difluoro-N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide

C23H19F2N5O4S — CID 71037772

IUPAC2,4-difluoro-N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESO=C(c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccc(F)cc4F)c3)cn12)N1CCOCC1
InChIInChI=1S/C23H19F2N5O4S/c24-17-2-3-21(19(25)10-17)35(32,33)28-18-9-16(11-26-12-18)15-1-4-22-27-13-20(30(22)14-15)23(31)29-5-7-34-8-6-29/h1-4,9-14,28H,5-8H2
InChIKeyJXSQFJSCNHZSOA-UHFFFAOYSA-N
MW499.50 g/mol
LogP2.95
Rot. Bonds5

About 2,4-difluoro-N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 71037772) has the molecular formula C23H19F2N5O4S and a molecular weight of 499.50 g/mol. Its IUPAC name is 2,4-difluoro-N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID71037772
Molecular FormulaC23H19F2N5O4S
Molecular Weight499.50 g/mol
Exact Mass499.11
IUPAC Name2,4-difluoro-N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESO=C(c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccc(F)cc4F)c3)cn12)N1CCOCC1
InChIInChI=1S/C23H19F2N5O4S/c24-17-2-3-21(19(25)10-17)35(32,33)28-18-9-16(11-26-12-18)15-1-4-22-27-13-20(30(22)14-15)23(31)29-5-7-34-8-6-29/h1-4,9-14,28H,5-8H2
InChIKeyJXSQFJSCNHZSOA-UHFFFAOYSA-N
XLogP2.95
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 71037772) is 2,4-difluoro-N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is O=C(c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccc(F)cc4F)c3)cn12)N1CCOCC1.
What is the InChIKey of 2,4-difluoro-N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is JXSQFJSCNHZSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O4S/c24-17-2-3-21(19(25)10-17)35(32,33)28-18-9-16(11-26-12-18)15-1-4-22-27-13-20(30(22)14-15)23(31)29-5-7-34-8-6-29/h1-4,9-14,28H,5-8H2.
What are the key properties of 2,4-difluoro-N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 499.50 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 71037772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).