3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide

C13H18N2O3S — CID 54885699

IUPAC3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCCC1CCCN1C(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H18N2O3S/c1-2-11-6-4-8-15(11)13(16)10-5-3-7-12(9-10)19(14,17)18/h3,5,7,9,11H,2,4,6,8H2,1H3,(H2,14,17,18)
InChIKeyOFBJJAJBYLBEHO-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.35
Rot. Bonds3

About 3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide

3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 54885699) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID54885699
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCCC1CCCN1C(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H18N2O3S/c1-2-11-6-4-8-15(11)13(16)10-5-3-7-12(9-10)19(14,17)18/h3,5,7,9,11H,2,4,6,8H2,1H3,(H2,14,17,18)
InChIKeyOFBJJAJBYLBEHO-UHFFFAOYSA-N
XLogP1.35
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-ethylpyrrolidin-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 110614017
(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973373
(3-bromophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974699
(2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109065552
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(3-bromophenyl)methanone
CID 90585652
(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793415
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119633746
N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanesulfonamide
CID 51160926
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 90585599
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119632815

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide (CID 54885699) is 3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide is CCC1CCCN1C(=O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is OFBJJAJBYLBEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-11-6-4-8-15(11)13(16)10-5-3-7-12(9-10)19(14,17)18/h3,5,7,9,11H,2,4,6,8H2,1H3,(H2,14,17,18).
What are the key properties of 3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide?
3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 282.36 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 54885699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).