2-cyano-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide

C16H18N4O2S — CID 129005301

IUPAC2-cyano-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC2CCn3ccnc3C2)c1C#N
InChIInChI=1S/C16H18N4O2S/c1-12-3-2-4-15(14(12)10-17)23(21,22)19-11-13-5-7-20-8-6-18-16(20)9-13/h2-4,6,8,13,19H,5,7,9,11H2,1H3
InChIKeyUADFFDCKRYCRLZ-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.60
Rot. Bonds4

About 2-cyano-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide

2-cyano-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide (PubChem CID 129005301) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-cyano-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide
PubChem CID129005301
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-cyano-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC2CCn3ccnc3C2)c1C#N
InChIInChI=1S/C16H18N4O2S/c1-12-3-2-4-15(14(12)10-17)23(21,22)19-11-13-5-7-20-8-6-18-16(20)9-13/h2-4,6,8,13,19H,5,7,9,11H2,1H3
InChIKeyUADFFDCKRYCRLZ-UHFFFAOYSA-N
XLogP1.60
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-cyano-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide (CID 129005301) is 2-cyano-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide is Cc1cccc(S(=O)(=O)NCC2CCn3ccnc3C2)c1C#N.
What is the InChIKey of 2-cyano-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide?
The InChIKey is UADFFDCKRYCRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-12-3-2-4-15(14(12)10-17)23(21,22)19-11-13-5-7-20-8-6-18-16(20)9-13/h2-4,6,8,13,19H,5,7,9,11H2,1H3.
What are the key properties of 2-cyano-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide?
2-cyano-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 129005301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).