N-[2-(benzylsulfamoyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride

C14H22ClN3O3S — CID 119723701

IUPACN-[2-(benzylsulfamoyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCS(=O)(=O)NCc1ccccc1)C1CCNC1
InChIInChI=1S/C14H21N3O3S.ClH/c18-14(13-6-7-15-11-13)16-8-9-21(19,20)17-10-12-4-2-1-3-5-12;/h1-5,13,15,17H,6-11H2,(H,16,18);1H
InChIKeyYJBWLOQFZQWTJK-UHFFFAOYSA-N
MW347.87 g/mol
LogP0.25
Rot. Bonds7

About N-[2-(benzylsulfamoyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride

N-[2-(benzylsulfamoyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119723701) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is N-[2-(benzylsulfamoyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(benzylsulfamoyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119723701
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC NameN-[2-(benzylsulfamoyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCS(=O)(=O)NCc1ccccc1)C1CCNC1
InChIInChI=1S/C14H21N3O3S.ClH/c18-14(13-6-7-15-11-13)16-8-9-21(19,20)17-10-12-4-2-1-3-5-12;/h1-5,13,15,17H,6-11H2,(H,16,18);1H
InChIKeyYJBWLOQFZQWTJK-UHFFFAOYSA-N
XLogP0.25
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(benzylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672900
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119723676
N-benzylpiperidine-4-carboxamide
CID 3868064
N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 119862283
N-[2-(benzylsulfamoyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119723679
N-(3-anilinopropyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119867816
N-benzyl-2-piperidin-4-ylethanesulfonamide
CID 60890567
benzyl 3-[[(3R)-pyrrolidine-3-carbonyl]amino]propanoate
CID 54157501
N-[2-(benzylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119723698
N-[4-(2-phenylethoxy)butyl]pyrrolidine-3-carboxamide
CID 119731795
N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119692939

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylsulfamoyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(benzylsulfamoyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119723701) is N-[2-(benzylsulfamoyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(benzylsulfamoyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(benzylsulfamoyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NCCS(=O)(=O)NCc1ccccc1)C1CCNC1.
What is the InChIKey of N-[2-(benzylsulfamoyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is YJBWLOQFZQWTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S.ClH/c18-14(13-6-7-15-11-13)16-8-9-21(19,20)17-10-12-4-2-1-3-5-12;/h1-5,13,15,17H,6-11H2,(H,16,18);1H.
What are the key properties of N-[2-(benzylsulfamoyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[2-(benzylsulfamoyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylsulfamoyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119723701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).