4-cyano-N-[(1R)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide

C17H17N5O2S — CID 59177290

IUPAC4-cyano-N-[(1R)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cnccc21
InChIInChI=1S/C17H17N5O2S/c1-3-22-16-8-9-19-11-15(16)20-17(22)12(2)21-25(23,24)14-6-4-13(10-18)5-7-14/h4-9,11-12,21H,3H2,1-2H3/t12-/m1/s1
InChIKeyXKTNOHWWTWNEHA-GFCCVEGCSA-N
MW355.42 g/mol
LogP2.36
Rot. Bonds5

About 4-cyano-N-[(1R)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide

4-cyano-N-[(1R)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide (PubChem CID 59177290) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-cyano-N-[(1R)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[(1R)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
PubChem CID59177290
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name4-cyano-N-[(1R)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cnccc21
InChIInChI=1S/C17H17N5O2S/c1-3-22-16-8-9-19-11-15(16)20-17(22)12(2)21-25(23,24)14-6-4-13(10-18)5-7-14/h4-9,11-12,21H,3H2,1-2H3/t12-/m1/s1
InChIKeyXKTNOHWWTWNEHA-GFCCVEGCSA-N
XLogP2.36
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1R)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[(1R)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide (CID 59177290) is 4-cyano-N-[(1R)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[(1R)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[(1R)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide is CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cnccc21.
What is the InChIKey of 4-cyano-N-[(1R)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide?
The InChIKey is XKTNOHWWTWNEHA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-3-22-16-8-9-19-11-15(16)20-17(22)12(2)21-25(23,24)14-6-4-13(10-18)5-7-14/h4-9,11-12,21H,3H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-cyano-N-[(1R)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide?
4-cyano-N-[(1R)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide has a molecular weight of 355.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1R)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 59177290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).