N-ethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

C15H22N2O3S — CID 2971751

IUPACN-ethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-2-16-21(19,20)14-8-5-13(6-9-14)7-10-15(18)17-11-3-4-12-17/h5-6,8-9,16H,2-4,7,10-12H2,1H3
InChIKeyCPGXQXVARKGSOY-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.54
Rot. Bonds6

About N-ethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

N-ethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (PubChem CID 2971751) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-ethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
PubChem CID2971751
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-ethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-2-16-21(19,20)14-8-5-13(6-9-14)7-10-15(18)17-11-3-4-12-17/h5-6,8-9,16H,2-4,7,10-12H2,1H3
InChIKeyCPGXQXVARKGSOY-UHFFFAOYSA-N
XLogP1.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(aminosulphonyl)phenyl]ethyl]acetamide
CID 745994
2-phenyl-N-(4-sulfamoylbenzyl)acetamide
CID 4119643
2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide
CID 10946908
2-Nonylamido-5-sulfonamidoindane
CID 11660633
4-Sulfamylbenzamide,N-hexyl
CID 11778627
N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)acetamide
CID 2186028
3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 670778
1-(p-Toluenesulfonyl)-2-pyrrolidinone
CID 563071
Tolpyrramide
CID 267368
Sulfonamide deriv., 7c
CID 3433937
N-Butyl 4-sulfamylbenzamide
CID 10355056
2-Amino-N-[2-(4-sulfamoyl-phenyl)-ethyl]-acetamide
CID 10848746

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (CID 2971751) is N-ethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is CCNS(=O)(=O)c1ccc(CCC(=O)N2CCCC2)cc1.
What is the InChIKey of N-ethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is CPGXQXVARKGSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-16-21(19,20)14-8-5-13(6-9-14)7-10-15(18)17-11-3-4-12-17/h5-6,8-9,16H,2-4,7,10-12H2,1H3.
What are the key properties of N-ethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
N-ethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 2971751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).