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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Related Compounds

CID 14652
CID 14652
CID 5288527
CID 5288527
CID 18766055
CID 18766055
CID 5329340
CID 5329340
CID 5329341
CID 5329341
CID 5329350
CID 5329350
CID 6539011
CID 6539011
CID 6539024
CID 6539024
CID 6539027
CID 6539027
CID 6539028
CID 6539028
CID 10271535
CID 10271535
CID 10271745
CID 10271745

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).