N-[[2-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C14H22ClN3O3S — CID 119276890

IUPACN-[[2-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)C1CCCN1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-17(2)21(19,20)13-8-4-3-6-11(13)10-16-14(18)12-7-5-9-15-12;/h3-4,6,8,12,15H,5,7,9-10H2,1-2H3,(H,16,18);1H
InChIKeyKLZHDOQUEFKWIT-UHFFFAOYSA-N
MW347.87 g/mol
LogP0.73
Rot. Bonds5

About N-[[2-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

N-[[2-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119276890) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is N-[[2-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119276890
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)C1CCCN1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-17(2)21(19,20)13-8-4-3-6-11(13)10-16-14(18)12-7-5-9-15-12;/h3-4,6,8,12,15H,5,7,9-10H2,1-2H3,(H,16,18);1H
InChIKeyKLZHDOQUEFKWIT-UHFFFAOYSA-N
XLogP0.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119276884
(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119688344
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 119861656
cis-(1S,2R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 26247678
(2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide
CID 61402429
N-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60717846
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60740965
N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280684
N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280308
(2R)-N-[[2-(ethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 103795112
(1R,2S,4R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98341757

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119276890) is N-[[2-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[2-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[2-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is CN(C)S(=O)(=O)c1ccccc1CNC(=O)C1CCCN1.Cl.
What is the InChIKey of N-[[2-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is KLZHDOQUEFKWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S.ClH/c1-17(2)21(19,20)13-8-4-3-6-11(13)10-16-14(18)12-7-5-9-15-12;/h3-4,6,8,12,15H,5,7,9-10H2,1-2H3,(H,16,18);1H.
What are the key properties of N-[[2-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[[2-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119276890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).