N-[3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]quinoxalin-2-yl]-4-methylbenzenesulfonamide

C26H24N6O5S2 — CID 5224139

IUPACN-[3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]quinoxalin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1
InChIInChI=1S/C26H24N6O5S2/c1-16-8-12-20(13-9-16)38(33,34)31-25-24(28-22-6-4-5-7-23(22)29-25)27-19-10-14-21(15-11-19)39(35,36)32-26-17(2)18(3)30-37-26/h4-15,32H,1-3H3,(H,27,28)(H,29,31)
InChIKeyJHUHWHVIMZMKCX-UHFFFAOYSA-N
MW564.65 g/mol
LogP4.89
Rot. Bonds8

About N-[3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]quinoxalin-2-yl]-4-methylbenzenesulfonamide

N-[3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]quinoxalin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 5224139) has the molecular formula C26H24N6O5S2 and a molecular weight of 564.65 g/mol. Its IUPAC name is N-[3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]quinoxalin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]quinoxalin-2-yl]-4-methylbenzenesulfonamide
PubChem CID5224139
Molecular FormulaC26H24N6O5S2
Molecular Weight564.65 g/mol
Exact Mass564.12
IUPAC NameN-[3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]quinoxalin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1
InChIInChI=1S/C26H24N6O5S2/c1-16-8-12-20(13-9-16)38(33,34)31-25-24(28-22-6-4-5-7-23(22)29-25)27-19-10-14-21(15-11-19)39(35,36)32-26-17(2)18(3)30-37-26/h4-15,32H,1-3H3,(H,27,28)(H,29,31)
InChIKeyJHUHWHVIMZMKCX-UHFFFAOYSA-N
XLogP4.89
TPSA156.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.65
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]quinoxalin-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]quinoxalin-2-yl]-4-methylbenzenesulfonamide (CID 5224139) is N-[3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]quinoxalin-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]quinoxalin-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]quinoxalin-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1.
What is the InChIKey of N-[3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]quinoxalin-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is JHUHWHVIMZMKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O5S2/c1-16-8-12-20(13-9-16)38(33,34)31-25-24(28-22-6-4-5-7-23(22)29-25)27-19-10-14-21(15-11-19)39(35,36)32-26-17(2)18(3)30-37-26/h4-15,32H,1-3H3,(H,27,28)(H,29,31).
What are the key properties of N-[3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]quinoxalin-2-yl]-4-methylbenzenesulfonamide?
N-[3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]quinoxalin-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 564.65 g/mol, XLogP of 4.89, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]quinoxalin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 5224139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).