N,2-dimethyl-N-[(E)-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide

C21H19N5O2S — CID 52939477

IUPACN,2-dimethyl-N-[(E)-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(C)/N=C/c1cnc2ccc(-c3cccnc3)cn12
InChIInChI=1S/C21H19N5O2S/c1-16-6-3-4-8-20(16)29(27,28)25(2)24-14-19-13-23-21-10-9-18(15-26(19)21)17-7-5-11-22-12-17/h3-15H,1-2H3/b24-14+
InChIKeySMEUPLVFAOYDAO-ZVHZXABRSA-N
MW405.48 g/mol
LogP3.36
Rot. Bonds5

About N,2-dimethyl-N-[(E)-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide

N,2-dimethyl-N-[(E)-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide (PubChem CID 52939477) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is N,2-dimethyl-N-[(E)-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(E)-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
PubChem CID52939477
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC NameN,2-dimethyl-N-[(E)-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(C)/N=C/c1cnc2ccc(-c3cccnc3)cn12
InChIInChI=1S/C21H19N5O2S/c1-16-6-3-4-8-20(16)29(27,28)25(2)24-14-19-13-23-21-10-9-18(15-26(19)21)17-7-5-11-22-12-17/h3-15H,1-2H3/b24-14+
InChIKeySMEUPLVFAOYDAO-ZVHZXABRSA-N
XLogP3.36
TPSA79.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(E)-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of N,2-dimethyl-N-[(E)-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide (CID 52939477) is N,2-dimethyl-N-[(E)-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-N-[(E)-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N,2-dimethyl-N-[(E)-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide is Cc1ccccc1S(=O)(=O)N(C)/N=C/c1cnc2ccc(-c3cccnc3)cn12.
What is the InChIKey of N,2-dimethyl-N-[(E)-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide?
The InChIKey is SMEUPLVFAOYDAO-ZVHZXABRSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-16-6-3-4-8-20(16)29(27,28)25(2)24-14-19-13-23-21-10-9-18(15-26(19)21)17-7-5-11-22-12-17/h3-15H,1-2H3/b24-14+.
What are the key properties of N,2-dimethyl-N-[(E)-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide?
N,2-dimethyl-N-[(E)-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide has a molecular weight of 405.48 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(E)-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 52939477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).