N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide

C13H19N3O3S — CID 60946168

IUPACN-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2CCCN2)cc1
InChIInChI=1S/C13H19N3O3S/c1-2-20(18,19)16-11-7-5-10(6-8-11)15-13(17)12-4-3-9-14-12/h5-8,12,14,16H,2-4,9H2,1H3,(H,15,17)
InChIKeyRHVKONZPHNWMIW-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.14
Rot. Bonds5

About N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide

N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide (PubChem CID 60946168) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
PubChem CID60946168
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2CCCN2)cc1
InChIInChI=1S/C13H19N3O3S/c1-2-20(18,19)16-11-7-5-10(6-8-11)15-13(17)12-4-3-9-14-12/h5-8,12,14,16H,2-4,9H2,1H3,(H,15,17)
InChIKeyRHVKONZPHNWMIW-UHFFFAOYSA-N
XLogP1.14
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282547
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-[4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43709925
(2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 103795165
N-[4-(piperidine-2-carbonyl)phenyl]ethanesulfonamide
CID 64868078
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate
CID 61179472
(2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 61178611
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
N-[4-(methanesulfonamidomethyl)phenyl]pyrrolidine-2-carboxamide
CID 119328480
N-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119711145
(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
CID 61156078

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide (CID 60946168) is N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide is CCS(=O)(=O)Nc1ccc(NC(=O)C2CCCN2)cc1.
What is the InChIKey of N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is RHVKONZPHNWMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-2-20(18,19)16-11-7-5-10(6-8-11)15-13(17)12-4-3-9-14-12/h5-8,12,14,16H,2-4,9H2,1H3,(H,15,17).
What are the key properties of N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide?
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 1.14, 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-2-carboxamide is sourced from PubChem (CID 60946168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).