N-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylbenzamide

C27H18Cl2N4O4S — CID 5330610

IUPACN-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Nc2cn3cc(C(=O)c4c(Cl)cccc4Cl)ccc3n2)cc1)c1ccccc1
InChIInChI=1S/C27H18Cl2N4O4S/c28-21-7-4-8-22(29)25(21)26(34)18-9-14-24-31-23(16-33(24)15-18)30-19-10-12-20(13-11-19)38(36,37)32-27(35)17-5-2-1-3-6-17/h1-16,30H,(H,32,35)
InChIKeyCVEHNPVUSWBAAE-UHFFFAOYSA-N
MW565.44 g/mol
LogP5.73
Rot. Bonds7

About N-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylbenzamide

N-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylbenzamide (PubChem CID 5330610) has the molecular formula C27H18Cl2N4O4S and a molecular weight of 565.44 g/mol. Its IUPAC name is N-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylbenzamide
PubChem CID5330610
Molecular FormulaC27H18Cl2N4O4S
Molecular Weight565.44 g/mol
Exact Mass564.04
IUPAC NameN-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Nc2cn3cc(C(=O)c4c(Cl)cccc4Cl)ccc3n2)cc1)c1ccccc1
InChIInChI=1S/C27H18Cl2N4O4S/c28-21-7-4-8-22(29)25(21)26(34)18-9-14-24-31-23(16-33(24)15-18)30-19-10-12-20(13-11-19)38(36,37)32-27(35)17-5-2-1-3-6-17/h1-16,30H,(H,32,35)
InChIKeyCVEHNPVUSWBAAE-UHFFFAOYSA-N
XLogP5.73
TPSA109.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.44
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylbenzamide?
The IUPAC name of N-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylbenzamide (CID 5330610) is N-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylbenzamide.
What is the SMILES notation for N-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylbenzamide?
The canonical SMILES for N-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylbenzamide is O=C(NS(=O)(=O)c1ccc(Nc2cn3cc(C(=O)c4c(Cl)cccc4Cl)ccc3n2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylbenzamide?
The InChIKey is CVEHNPVUSWBAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl2N4O4S/c28-21-7-4-8-22(29)25(21)26(34)18-9-14-24-31-23(16-33(24)15-18)30-19-10-12-20(13-11-19)38(36,37)32-27(35)17-5-2-1-3-6-17/h1-16,30H,(H,32,35).
What are the key properties of N-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylbenzamide?
N-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylbenzamide has a molecular weight of 565.44 g/mol, XLogP of 5.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylbenzamide is sourced from PubChem (CID 5330610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).