4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide

C22H23N7O4S — CID 90435547

IUPAC4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)NCCO)cc4)cnc3N)o2)cc1
InChIInChI=1S/C22H23N7O4S/c1-24-12-14-2-4-16(5-3-14)21-28-29-22(33-21)19-20(23)25-13-18(27-19)15-6-8-17(9-7-15)34(31,32)26-10-11-30/h2-9,13,24,26,30H,10-12H2,1H3,(H2,23,25)
InChIKeyRRQBRFYBCRSSGK-UHFFFAOYSA-N
MW481.54 g/mol
LogP1.43
Rot. Bonds9

About 4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide

4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 90435547) has the molecular formula C22H23N7O4S and a molecular weight of 481.54 g/mol. Its IUPAC name is 4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID90435547
Molecular FormulaC22H23N7O4S
Molecular Weight481.54 g/mol
Exact Mass481.15
IUPAC Name4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)NCCO)cc4)cnc3N)o2)cc1
InChIInChI=1S/C22H23N7O4S/c1-24-12-14-2-4-16(5-3-14)21-28-29-22(33-21)19-20(23)25-13-18(27-19)15-6-8-17(9-7-15)34(31,32)26-10-11-30/h2-9,13,24,26,30H,10-12H2,1H3,(H2,23,25)
InChIKeyRRQBRFYBCRSSGK-UHFFFAOYSA-N
XLogP1.43
TPSA169.15 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.54
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide (CID 90435547) is 4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)NCCO)cc4)cnc3N)o2)cc1.
What is the InChIKey of 4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is RRQBRFYBCRSSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O4S/c1-24-12-14-2-4-16(5-3-14)21-28-29-22(33-21)19-20(23)25-13-18(27-19)15-6-8-17(9-7-15)34(31,32)26-10-11-30/h2-9,13,24,26,30H,10-12H2,1H3,(H2,23,25).
What are the key properties of 4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 481.54 g/mol, XLogP of 1.43, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 90435547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).