N-methyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide

C24H21N5O2S — CID 122697986

IUPACN-methyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1
InChIInChI=1S/C24H21N5O2S/c1-25-32(30,31)23-6-4-3-5-20(23)28-18-14-19(24-21(15-18)26-10-11-27-24)17-8-7-16-9-12-29(2)22(16)13-17/h3-15,25,28H,1-2H3
InChIKeyJLHOWNWDSULDRX-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.44
Rot. Bonds5

About N-methyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide

N-methyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide (PubChem CID 122697986) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-methyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide
PubChem CID122697986
Molecular FormulaC24H21N5O2S
Molecular Weight443.53 g/mol
Exact Mass443.14
IUPAC NameN-methyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1
InChIInChI=1S/C24H21N5O2S/c1-25-32(30,31)23-6-4-3-5-20(23)28-18-14-19(24-21(15-18)26-10-11-27-24)17-8-7-16-9-12-29(2)22(16)13-17/h3-15,25,28H,1-2H3
InChIKeyJLHOWNWDSULDRX-UHFFFAOYSA-N
XLogP4.44
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide?
The IUPAC name of N-methyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide (CID 122697986) is N-methyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide?
The canonical SMILES for N-methyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide is CNS(=O)(=O)c1ccccc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1.
What is the InChIKey of N-methyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide?
The InChIKey is JLHOWNWDSULDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S/c1-25-32(30,31)23-6-4-3-5-20(23)28-18-14-19(24-21(15-18)26-10-11-27-24)17-8-7-16-9-12-29(2)22(16)13-17/h3-15,25,28H,1-2H3.
What are the key properties of N-methyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide?
N-methyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide has a molecular weight of 443.53 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide is sourced from PubChem (CID 122697986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).