N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride

C13H20ClN3O3S — CID 119711147

IUPACN-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2CCNC2)cc1.Cl
InChIInChI=1S/C13H19N3O3S.ClH/c1-2-20(18,19)16-12-5-3-11(4-6-12)15-13(17)10-7-8-14-9-10;/h3-6,10,14,16H,2,7-9H2,1H3,(H,15,17);1H
InChIKeyJIYQJATTZWPFKV-UHFFFAOYSA-N
MW333.84 g/mol
LogP1.42
Rot. Bonds5

About N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride

N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119711147) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119711147
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC NameN-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2CCNC2)cc1.Cl
InChIInChI=1S/C13H19N3O3S.ClH/c1-2-20(18,19)16-12-5-3-11(4-6-12)15-13(17)10-7-8-14-9-10;/h3-6,10,14,16H,2,7-9H2,1H3,(H,15,17);1H
InChIKeyJIYQJATTZWPFKV-UHFFFAOYSA-N
XLogP1.42
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119306484
N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
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N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride
CID 119298124
N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119714145
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282547
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-4-carboxamide;hydrochloride
CID 119298110
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
CID 60946168
N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006806
N-(1-ethyl-6-oxo-3-pyridinyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119723783
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide
CID 63005975
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119711147) is N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride is CCS(=O)(=O)Nc1ccc(NC(=O)C2CCNC2)cc1.Cl.
What is the InChIKey of N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is JIYQJATTZWPFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S.ClH/c1-2-20(18,19)16-12-5-3-11(4-6-12)15-13(17)10-7-8-14-9-10;/h3-6,10,14,16H,2,7-9H2,1H3,(H,15,17);1H.
What are the key properties of N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 333.84 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119711147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).