3-cyano-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]benzenesulfonamide

C16H15N5O2S — CID 133321609

IUPAC3-cyano-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]benzenesulfonamide
SMILESCc1cccc2nc(CNc3ccc(S(N)(=O)=O)cc3C#N)cn12
InChIInChI=1S/C16H15N5O2S/c1-11-3-2-4-16-20-13(10-21(11)16)9-19-15-6-5-14(24(18,22)23)7-12(15)8-17/h2-7,10,19H,9H2,1H3,(H2,18,22,23)
InChIKeyUHAVIHMYGGTJMG-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.77
Rot. Bonds4

About 3-cyano-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]benzenesulfonamide

3-cyano-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]benzenesulfonamide (PubChem CID 133321609) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 3-cyano-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]benzenesulfonamide
PubChem CID133321609
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name3-cyano-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]benzenesulfonamide
SMILESCc1cccc2nc(CNc3ccc(S(N)(=O)=O)cc3C#N)cn12
InChIInChI=1S/C16H15N5O2S/c1-11-3-2-4-16-20-13(10-21(11)16)9-19-15-6-5-14(24(18,22)23)7-12(15)8-17/h2-7,10,19H,9H2,1H3,(H2,18,22,23)
InChIKeyUHAVIHMYGGTJMG-UHFFFAOYSA-N
XLogP1.77
TPSA113.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]benzenesulfonamide?
The IUPAC name of 3-cyano-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]benzenesulfonamide (CID 133321609) is 3-cyano-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]benzenesulfonamide?
The canonical SMILES for 3-cyano-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]benzenesulfonamide is Cc1cccc2nc(CNc3ccc(S(N)(=O)=O)cc3C#N)cn12.
What is the InChIKey of 3-cyano-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]benzenesulfonamide?
The InChIKey is UHAVIHMYGGTJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-11-3-2-4-16-20-13(10-21(11)16)9-19-15-6-5-14(24(18,22)23)7-12(15)8-17/h2-7,10,19H,9H2,1H3,(H2,18,22,23).
What are the key properties of 3-cyano-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]benzenesulfonamide?
3-cyano-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]benzenesulfonamide has a molecular weight of 341.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 133321609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).