N-[3-(3-piperidin-1-ylsulfonylanilino)quinoxalin-2-yl]benzenesulfonamide

C25H25N5O4S2 — CID 4092119

IUPACN-[3-(3-piperidin-1-ylsulfonylanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C25H25N5O4S2/c31-35(32,20-11-3-1-4-12-20)29-25-24(27-22-14-5-6-15-23(22)28-25)26-19-10-9-13-21(18-19)36(33,34)30-16-7-2-8-17-30/h1,3-6,9-15,18H,2,7-8,16-17H2,(H,26,27)(H,28,29)
InChIKeyJBBGBYPGZPWZBG-UHFFFAOYSA-N
MW523.64 g/mol
LogP4.35
Rot. Bonds7

About N-[3-(3-piperidin-1-ylsulfonylanilino)quinoxalin-2-yl]benzenesulfonamide

N-[3-(3-piperidin-1-ylsulfonylanilino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 4092119) has the molecular formula C25H25N5O4S2 and a molecular weight of 523.64 g/mol. Its IUPAC name is N-[3-(3-piperidin-1-ylsulfonylanilino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-piperidin-1-ylsulfonylanilino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID4092119
Molecular FormulaC25H25N5O4S2
Molecular Weight523.64 g/mol
Exact Mass523.13
IUPAC NameN-[3-(3-piperidin-1-ylsulfonylanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C25H25N5O4S2/c31-35(32,20-11-3-1-4-12-20)29-25-24(27-22-14-5-6-15-23(22)28-25)26-19-10-9-13-21(18-19)36(33,34)30-16-7-2-8-17-30/h1,3-6,9-15,18H,2,7-8,16-17H2,(H,26,27)(H,28,29)
InChIKeyJBBGBYPGZPWZBG-UHFFFAOYSA-N
XLogP4.35
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.64
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-piperidin-1-ylsulfonylanilino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(3-piperidin-1-ylsulfonylanilino)quinoxalin-2-yl]benzenesulfonamide (CID 4092119) is N-[3-(3-piperidin-1-ylsulfonylanilino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(3-piperidin-1-ylsulfonylanilino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(3-piperidin-1-ylsulfonylanilino)quinoxalin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1.
What is the InChIKey of N-[3-(3-piperidin-1-ylsulfonylanilino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is JBBGBYPGZPWZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4S2/c31-35(32,20-11-3-1-4-12-20)29-25-24(27-22-14-5-6-15-23(22)28-25)26-19-10-9-13-21(18-19)36(33,34)30-16-7-2-8-17-30/h1,3-6,9-15,18H,2,7-8,16-17H2,(H,26,27)(H,28,29).
What are the key properties of N-[3-(3-piperidin-1-ylsulfonylanilino)quinoxalin-2-yl]benzenesulfonamide?
N-[3-(3-piperidin-1-ylsulfonylanilino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 523.64 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-piperidin-1-ylsulfonylanilino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 4092119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).