N,N-dimethyl-3-[(quinoxaline-2-carbonylamino)carbamoyl]benzenesulfonamide

C18H17N5O4S — CID 32726076

IUPACN,N-dimethyl-3-[(quinoxaline-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnc3ccccc3n2)c1
InChIInChI=1S/C18H17N5O4S/c1-23(2)28(26,27)13-7-5-6-12(10-13)17(24)21-22-18(25)16-11-19-14-8-3-4-9-15(14)20-16/h3-11H,1-2H3,(H,21,24)(H,22,25)
InChIKeyJWMLLFKZRGMEOY-UHFFFAOYSA-N
MW399.43 g/mol
LogP0.95
Rot. Bonds4

About N,N-dimethyl-3-[(quinoxaline-2-carbonylamino)carbamoyl]benzenesulfonamide

N,N-dimethyl-3-[(quinoxaline-2-carbonylamino)carbamoyl]benzenesulfonamide (PubChem CID 32726076) has the molecular formula C18H17N5O4S and a molecular weight of 399.43 g/mol. Its IUPAC name is N,N-dimethyl-3-[(quinoxaline-2-carbonylamino)carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(quinoxaline-2-carbonylamino)carbamoyl]benzenesulfonamide
PubChem CID32726076
Molecular FormulaC18H17N5O4S
Molecular Weight399.43 g/mol
Exact Mass399.10
IUPAC NameN,N-dimethyl-3-[(quinoxaline-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnc3ccccc3n2)c1
InChIInChI=1S/C18H17N5O4S/c1-23(2)28(26,27)13-7-5-6-12(10-13)17(24)21-22-18(25)16-11-19-14-8-3-4-9-15(14)20-16/h3-11H,1-2H3,(H,21,24)(H,22,25)
InChIKeyJWMLLFKZRGMEOY-UHFFFAOYSA-N
XLogP0.95
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9473161
N-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 2583610
3-[[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9085488
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166
3-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9473259
N,N-dimethyl-3-[[(5-methylthiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 17463497
1-tert-butyl-3-[[3-(dimethylsulfamoyl)benzoyl]amino]thiourea
CID 9425452
3-[[(4-cyclohexylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 30873167
N,N-dimethyl-3-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]carbamoyl]benzenesulfonamide
CID 34029254
N,N-dimethyl-3-[(3-methylsulfanylpropanoylamino)carbamoyl]benzenesulfonamide
CID 24639201
3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 43016473
N-(6-bromo-3-pyridinyl)-3-(dimethylsulfamoyl)benzamide
CID 110614688

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(quinoxaline-2-carbonylamino)carbamoyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[(quinoxaline-2-carbonylamino)carbamoyl]benzenesulfonamide (CID 32726076) is N,N-dimethyl-3-[(quinoxaline-2-carbonylamino)carbamoyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[(quinoxaline-2-carbonylamino)carbamoyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[(quinoxaline-2-carbonylamino)carbamoyl]benzenesulfonamide is CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnc3ccccc3n2)c1.
What is the InChIKey of N,N-dimethyl-3-[(quinoxaline-2-carbonylamino)carbamoyl]benzenesulfonamide?
The InChIKey is JWMLLFKZRGMEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4S/c1-23(2)28(26,27)13-7-5-6-12(10-13)17(24)21-22-18(25)16-11-19-14-8-3-4-9-15(14)20-16/h3-11H,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N,N-dimethyl-3-[(quinoxaline-2-carbonylamino)carbamoyl]benzenesulfonamide?
N,N-dimethyl-3-[(quinoxaline-2-carbonylamino)carbamoyl]benzenesulfonamide has a molecular weight of 399.43 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(quinoxaline-2-carbonylamino)carbamoyl]benzenesulfonamide is sourced from PubChem (CID 32726076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).