4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide

C13H18N2O3S — CID 112698154

IUPAC4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCCC1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C13H18N2O3S/c1-2-10-7-8-15(9-10)13(16)11-3-5-12(6-4-11)19(14,17)18/h3-6,10H,2,7-9H2,1H3,(H2,14,17,18)
InChIKeyVYKZFTWGUXBGQN-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.21
Rot. Bonds3

About 4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide

4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 112698154) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID112698154
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCCC1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C13H18N2O3S/c1-2-10-7-8-15(9-10)13(16)11-3-5-12(6-4-11)19(14,17)18/h3-6,10H,2,7-9H2,1H3,(H2,14,17,18)
InChIKeyVYKZFTWGUXBGQN-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dihydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 103957455
(4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 159043850
1-ethyl-5-(3-ethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 114612465
3-[1-(4-sulfamoylbenzoyl)piperidin-3-yl]propanoic acid
CID 90649672
[3-(bromomethyl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 80667807
(4-bromo-3-fluorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112697956
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 63263866
[1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 118779062
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
[3-(aminomethyl)pyrrolidin-1-yl]-(4-iodophenyl)methanone
CID 62062850
4-(3-propylpyrrolidine-1-carbonyl)benzoic acid
CID 112700698
[4-(aminomethyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone;hydrochloride
CID 119423969

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide (CID 112698154) is 4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide is CCC1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is VYKZFTWGUXBGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-10-7-8-15(9-10)13(16)11-3-5-12(6-4-11)19(14,17)18/h3-6,10H,2,7-9H2,1H3,(H2,14,17,18).
What are the key properties of 4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide?
4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 282.36 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 112698154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).