5-amino-N,N-diethyl-2-pyrrolidin-1-ylbenzenesulfonamide

C14H23N3O2S — CID 28795814

IUPAC5-amino-N,N-diethyl-2-pyrrolidin-1-ylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(N)ccc1N1CCCC1
InChIInChI=1S/C14H23N3O2S/c1-3-17(4-2)20(18,19)14-11-12(15)7-8-13(14)16-9-5-6-10-16/h7-8,11H,3-6,9-10,15H2,1-2H3
InChIKeyXXTHSMMGPJXWPT-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.90
Rot. Bonds5

About 5-amino-N,N-diethyl-2-pyrrolidin-1-ylbenzenesulfonamide

5-amino-N,N-diethyl-2-pyrrolidin-1-ylbenzenesulfonamide (PubChem CID 28795814) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 5-amino-N,N-diethyl-2-pyrrolidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N,N-diethyl-2-pyrrolidin-1-ylbenzenesulfonamide
PubChem CID28795814
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name5-amino-N,N-diethyl-2-pyrrolidin-1-ylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(N)ccc1N1CCCC1
InChIInChI=1S/C14H23N3O2S/c1-3-17(4-2)20(18,19)14-11-12(15)7-8-13(14)16-9-5-6-10-16/h7-8,11H,3-6,9-10,15H2,1-2H3
InChIKeyXXTHSMMGPJXWPT-UHFFFAOYSA-N
XLogP1.90
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N,N-dimethyl-2-piperidin-1-ylbenzenesulfonamide
CID 28795698
5-amino-N,N,2-triethylbenzenesulfonamide
CID 43255626
5-amino-N,N-diethyl-2-methylbenzenesulfonamide
CID 3643281
N-(2-amino-2-oxoethyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 9276846
N-(4-amino-3,5-dichlorophenyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 55463873
4-chloro-5-(diethylsulfamoyl)-2-piperidin-1-ylbenzoic acid
CID 4166566
5-amino-N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylbenzenesulfonamide
CID 121356164
6-amino-N,N-diethyl-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 28783515
N'-[2-(azepan-1-yl)-5-(diethylsulfamoyl)phenyl]-N,N-dimethylmethanimidamide
CID 4830934
5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 51159074
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]naphthalene-2-sulfonamide
CID 4826340
5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 54879902

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N-diethyl-2-pyrrolidin-1-ylbenzenesulfonamide?
The IUPAC name of 5-amino-N,N-diethyl-2-pyrrolidin-1-ylbenzenesulfonamide (CID 28795814) is 5-amino-N,N-diethyl-2-pyrrolidin-1-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N,N-diethyl-2-pyrrolidin-1-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-N,N-diethyl-2-pyrrolidin-1-ylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(N)ccc1N1CCCC1.
What is the InChIKey of 5-amino-N,N-diethyl-2-pyrrolidin-1-ylbenzenesulfonamide?
The InChIKey is XXTHSMMGPJXWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-17(4-2)20(18,19)14-11-12(15)7-8-13(14)16-9-5-6-10-16/h7-8,11H,3-6,9-10,15H2,1-2H3.
What are the key properties of 5-amino-N,N-diethyl-2-pyrrolidin-1-ylbenzenesulfonamide?
5-amino-N,N-diethyl-2-pyrrolidin-1-ylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-diethyl-2-pyrrolidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 28795814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).