5-(dimethylsulfamoyl)-N-piperidin-3-yl-2-pyrrolidin-1-ylbenzamide

C18H28N4O3S — CID 119429055

IUPAC5-(dimethylsulfamoyl)-N-piperidin-3-yl-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NC2CCCNC2)c1
InChIInChI=1S/C18H28N4O3S/c1-21(2)26(24,25)15-7-8-17(22-10-3-4-11-22)16(12-15)18(23)20-14-6-5-9-19-13-14/h7-8,12,14,19H,3-6,9-11,13H2,1-2H3,(H,20,23)
InChIKeyJCLIWGMDDFQLSW-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.02
Rot. Bonds5

About 5-(dimethylsulfamoyl)-N-piperidin-3-yl-2-pyrrolidin-1-ylbenzamide

5-(dimethylsulfamoyl)-N-piperidin-3-yl-2-pyrrolidin-1-ylbenzamide (PubChem CID 119429055) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-piperidin-3-yl-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-piperidin-3-yl-2-pyrrolidin-1-ylbenzamide
PubChem CID119429055
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC Name5-(dimethylsulfamoyl)-N-piperidin-3-yl-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NC2CCCNC2)c1
InChIInChI=1S/C18H28N4O3S/c1-21(2)26(24,25)15-7-8-17(22-10-3-4-11-22)16(12-15)18(23)20-14-6-5-9-19-13-14/h7-8,12,14,19H,3-6,9-11,13H2,1-2H3,(H,20,23)
InChIKeyJCLIWGMDDFQLSW-UHFFFAOYSA-N
XLogP1.02
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-piperidin-3-ylbenzamide
CID 119427536
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119514587
2-morpholin-4-yl-N-piperidin-3-yl-5-sulfamoylbenzamide;dihydrochloride
CID 119428703
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
5-(dimethylsulfamoyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-2-piperidin-1-ylbenzamide
CID 112822454
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 39952249
5-(dimethylsulfamoyl)-N-(3-methylbutan-2-yl)-2-piperidin-1-ylbenzamide
CID 51250980
N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 119617620
5-(dimethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 26880620
N-(1-adamantyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 25466548
2-chloro-N-cyclopentyl-5-(dimethylsulfamoyl)benzamide
CID 26413035

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-piperidin-3-yl-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-piperidin-3-yl-2-pyrrolidin-1-ylbenzamide (CID 119429055) is 5-(dimethylsulfamoyl)-N-piperidin-3-yl-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-piperidin-3-yl-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-piperidin-3-yl-2-pyrrolidin-1-ylbenzamide is CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NC2CCCNC2)c1.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-piperidin-3-yl-2-pyrrolidin-1-ylbenzamide?
The InChIKey is JCLIWGMDDFQLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-21(2)26(24,25)15-7-8-17(22-10-3-4-11-22)16(12-15)18(23)20-14-6-5-9-19-13-14/h7-8,12,14,19H,3-6,9-11,13H2,1-2H3,(H,20,23).
What are the key properties of 5-(dimethylsulfamoyl)-N-piperidin-3-yl-2-pyrrolidin-1-ylbenzamide?
5-(dimethylsulfamoyl)-N-piperidin-3-yl-2-pyrrolidin-1-ylbenzamide has a molecular weight of 380.51 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-piperidin-3-yl-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 119429055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).