5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride

C17H29ClN4O3S — CID 120833091

IUPAC5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1.Cl
InChIInChI=1S/C17H28N4O3S.ClH/c1-13(18-2)12-19-17(22)15-11-14(25(23,24)20(3)4)7-8-16(15)21-9-5-6-10-21;/h7-8,11,13,18H,5-6,9-10,12H2,1-4H3,(H,19,22);1H
InChIKeyXTSSLGFICGNPSB-UHFFFAOYSA-N
MW404.96 g/mol
LogP1.30
Rot. Bonds7

About 5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride

5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride (PubChem CID 120833091) has the molecular formula C17H29ClN4O3S and a molecular weight of 404.96 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride
PubChem CID120833091
Molecular FormulaC17H29ClN4O3S
Molecular Weight404.96 g/mol
Exact Mass404.16
IUPAC Name5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1.Cl
InChIInChI=1S/C17H28N4O3S.ClH/c1-13(18-2)12-19-17(22)15-11-14(25(23,24)20(3)4)7-8-16(15)21-9-5-6-10-21;/h7-8,11,13,18H,5-6,9-10,12H2,1-4H3,(H,19,22);1H
InChIKeyXTSSLGFICGNPSB-UHFFFAOYSA-N
XLogP1.30
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.96
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
5-(dimethylsulfamoyl)-N-(6-methylheptan-2-yl)-2-pyrrolidin-1-ylbenzamide
CID 55344476
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 51159074
5-(dimethylsulfamoyl)-N-(3-methylbutan-2-yl)-2-piperidin-1-ylbenzamide
CID 51250980
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119514587
5-(dimethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 26880620
2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid
CID 119223258
N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 119617620
5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 51149690
5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55887664
5-(dimethylsulfamoyl)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-pyrrolidin-1-ylbenzamide
CID 55908803

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride?
The IUPAC name of 5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride (CID 120833091) is 5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride is CNC(C)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1.Cl.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride?
The InChIKey is XTSSLGFICGNPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S.ClH/c1-13(18-2)12-19-17(22)15-11-14(25(23,24)20(3)4)7-8-16(15)21-9-5-6-10-21;/h7-8,11,13,18H,5-6,9-10,12H2,1-4H3,(H,19,22);1H.
What are the key properties of 5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride?
5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride has a molecular weight of 404.96 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride is sourced from PubChem (CID 120833091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).