4-(dimethylsulfamoyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide

C21H23N5O3S — CID 46683851

IUPAC4-(dimethylsulfamoyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C21H23N5O3S/c1-25(2)30(28,29)16-11-9-15(10-12-16)21(27)24-19-20(26-13-5-6-14-26)23-18-8-4-3-7-17(18)22-19/h3-4,7-12H,5-6,13-14H2,1-2H3,(H,22,24,27)
InChIKeyGOJSDKCYTPPMPY-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.73
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide

4-(dimethylsulfamoyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide (PubChem CID 46683851) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
PubChem CID46683851
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Name4-(dimethylsulfamoyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C21H23N5O3S/c1-25(2)30(28,29)16-11-9-15(10-12-16)21(27)24-19-20(26-13-5-6-14-26)23-18-8-4-3-7-17(18)22-19/h3-4,7-12H,5-6,13-14H2,1-2H3,(H,22,24,27)
InChIKeyGOJSDKCYTPPMPY-UHFFFAOYSA-N
XLogP2.73
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide (CID 46683851) is 4-(dimethylsulfamoyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide?
The InChIKey is GOJSDKCYTPPMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-25(2)30(28,29)16-11-9-15(10-12-16)21(27)24-19-20(26-13-5-6-14-26)23-18-8-4-3-7-17(18)22-19/h3-4,7-12H,5-6,13-14H2,1-2H3,(H,22,24,27).
What are the key properties of 4-(dimethylsulfamoyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide?
4-(dimethylsulfamoyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide has a molecular weight of 425.51 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide is sourced from PubChem (CID 46683851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).