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

C21H16Cl2N6O3S — CID 5330609

IUPAC2-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(Nc2cn3cc(C(=O)c4c(Cl)cccc4Cl)ccc3n2)cc1
InChIInChI=1S/C21H16Cl2N6O3S/c22-15-2-1-3-16(23)19(15)20(30)12-4-9-18-27-17(11-29(18)10-12)26-13-5-7-14(8-6-13)33(31,32)28-21(24)25/h1-11,26H,(H4,24,25,28)
InChIKeyKBFNBMAXWKLLHH-UHFFFAOYSA-N
MW503.37 g/mol
LogP3.58
Rot. Bonds6

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

2-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylguanidine (PubChem CID 5330609) has the molecular formula C21H16Cl2N6O3S and a molecular weight of 503.37 g/mol. Its IUPAC name is 2-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylguanidine.

Molecular Properties

Compound Name2-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylguanidine
PubChem CID5330609
Molecular FormulaC21H16Cl2N6O3S
Molecular Weight503.37 g/mol
Exact Mass502.04
IUPAC Name2-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(Nc2cn3cc(C(=O)c4c(Cl)cccc4Cl)ccc3n2)cc1
InChIInChI=1S/C21H16Cl2N6O3S/c22-15-2-1-3-16(23)19(15)20(30)12-4-9-18-27-17(11-29(18)10-12)26-13-5-7-14(8-6-13)33(31,32)28-21(24)25/h1-11,26H,(H4,24,25,28)
InChIKeyKBFNBMAXWKLLHH-UHFFFAOYSA-N
XLogP3.58
TPSA144.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.37
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Phenylaminoimidazo(1,2-alpha)pyridine
CID 5330608
Aminoimidazo[1,2-a]pyridine deriv. 2a
CID 5330600
Aminoimidazo[1,2-a]pyridine deriv. 2e
CID 5330604
Aminoimidazo[1,2-a]pyridine deriv. 2g
CID 5330606
Aminoimidazo[1,2-a]pyridine deriv. 2k
CID 5330610
Aminoimidazo[1,2-a]pyridine deriv. 15
CID 5330615
Aminoimidazo[1,2-a]pyridine deriv. 42
CID 5330618
Aminoimidazo[1,2-a]pyridine deriv. 37
CID 5330623
Aminoimidazo[1,2-a]pyridine deriv. 31
CID 5330624
Aminoimidazo[1,2-a]pyridine deriv. 7
CID 5330629
Aminoimidazo[1,2-a]pyridine deriv. 12
CID 5330634
Aminoimidazo[1,2-a]pyridine deriv. 2b
CID 5330601

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylguanidine?
The IUPAC name of 2-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylguanidine (CID 5330609) is 2-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylguanidine.
What is the SMILES notation for 2-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylguanidine?
The canonical SMILES for 2-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylguanidine is NC(N)=NS(=O)(=O)c1ccc(Nc2cn3cc(C(=O)c4c(Cl)cccc4Cl)ccc3n2)cc1.
What is the InChIKey of 2-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylguanidine?
The InChIKey is KBFNBMAXWKLLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N6O3S/c22-15-2-1-3-16(23)19(15)20(30)12-4-9-18-27-17(11-29(18)10-12)26-13-5-7-14(8-6-13)33(31,32)28-21(24)25/h1-11,26H,(H4,24,25,28).
What are the key properties of 2-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylguanidine?
2-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylguanidine has a molecular weight of 503.37 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]sulfonylguanidine is sourced from PubChem (CID 5330609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).