N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide

C20H16N4O4S — CID 155550241

IUPACN-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cn3c(-c4ccc5c(c4)OCO5)cnc3cn2)c1
InChIInChI=1S/C20H16N4O4S/c1-29(25,26)23-15-4-2-3-13(7-15)16-11-24-17(9-22-20(24)10-21-16)14-5-6-18-19(8-14)28-12-27-18/h2-11,23H,12H2,1H3
InChIKeyLPGMCAQYWZZEHV-UHFFFAOYSA-N
MW408.44 g/mol
LogP3.16
Rot. Bonds4

About N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide

N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide (PubChem CID 155550241) has the molecular formula C20H16N4O4S and a molecular weight of 408.44 g/mol. Its IUPAC name is N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide
PubChem CID155550241
Molecular FormulaC20H16N4O4S
Molecular Weight408.44 g/mol
Exact Mass408.09
IUPAC NameN-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cn3c(-c4ccc5c(c4)OCO5)cnc3cn2)c1
InChIInChI=1S/C20H16N4O4S/c1-29(25,26)23-15-4-2-3-13(7-15)16-11-24-17(9-22-20(24)10-21-16)14-5-6-18-19(8-14)28-12-27-18/h2-11,23H,12H2,1H3
InChIKeyLPGMCAQYWZZEHV-UHFFFAOYSA-N
XLogP3.16
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide (CID 155550241) is N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2cn3c(-c4ccc5c(c4)OCO5)cnc3cn2)c1.
What is the InChIKey of N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide?
The InChIKey is LPGMCAQYWZZEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4S/c1-29(25,26)23-15-4-2-3-13(7-15)16-11-24-17(9-22-20(24)10-21-16)14-5-6-18-19(8-14)28-12-27-18/h2-11,23H,12H2,1H3.
What are the key properties of N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide?
N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide has a molecular weight of 408.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 155550241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).