5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide

C17H27N3O3S — CID 51149690

IUPAC5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
SMILESCCN(CC)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1
InChIInChI=1S/C17H27N3O3S/c1-5-19(6-2)17(21)15-13-14(24(22,23)18(3)4)9-10-16(15)20-11-7-8-12-20/h9-10,13H,5-8,11-12H2,1-4H3
InChIKeyGXLKGXNROSQHAO-UHFFFAOYSA-N
MW353.49 g/mol
LogP2.02
Rot. Bonds6

About 5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide

5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide (PubChem CID 51149690) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
PubChem CID51149690
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
SMILESCCN(CC)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1
InChIInChI=1S/C17H27N3O3S/c1-5-19(6-2)17(21)15-13-14(24(22,23)18(3)4)9-10-16(15)20-11-7-8-12-20/h9-10,13H,5-8,11-12H2,1-4H3
InChIKeyGXLKGXNROSQHAO-UHFFFAOYSA-N
XLogP2.02
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-ylbenzamide
CID 16560694
5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide
CID 134014499
N-benzyl-5-(dimethylsulfamoyl)-N-methyl-2-pyrrolidin-1-ylbenzamide
CID 29200489
N,N-diethyl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 102603226
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
2-oxopropyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 29200680
N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 55335115
2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid
CID 119223258
5-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylbenzamide
CID 55364063
5-(dimethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 26880620
5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride
CID 120833091

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide (CID 51149690) is 5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide is CCN(CC)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1.
What is the InChIKey of 5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide?
The InChIKey is GXLKGXNROSQHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-5-19(6-2)17(21)15-13-14(24(22,23)18(3)4)9-10-16(15)20-11-7-8-12-20/h9-10,13H,5-8,11-12H2,1-4H3.
What are the key properties of 5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide?
5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide has a molecular weight of 353.49 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 51149690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).