4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide

C14H22N2O3S — CID 63299749

IUPAC4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)C2CCNC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-3-16(12-9-10-15-11-12)20(17,18)14-7-5-13(6-8-14)19-4-2/h5-8,12,15H,3-4,9-11H2,1-2H3
InChIKeyWULBAVYQCXHWJL-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.46
Rot. Bonds6

About 4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide

4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 63299749) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID63299749
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)C2CCNC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-3-16(12-9-10-15-11-12)20(17,18)14-7-5-13(6-8-14)19-4-2/h5-8,12,15H,3-4,9-11H2,1-2H3
InChIKeyWULBAVYQCXHWJL-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-propoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299303
N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159
N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55205527
4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299171
4-ethoxy-N-pyrrolidin-3-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 146065088
N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63299124
N-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 107173129
3-(4-ethoxyphenyl)sulfonylpyrrolidine
CID 82299275
N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide
CID 119993786
N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide
CID 66184477
N-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide
CID 66183635
N-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide
CID 60807373

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide (CID 63299749) is 4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)N(CC)C2CCNC2)cc1.
What is the InChIKey of 4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is WULBAVYQCXHWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-16(12-9-10-15-11-12)20(17,18)14-7-5-13(6-8-14)19-4-2/h5-8,12,15H,3-4,9-11H2,1-2H3.
What are the key properties of 4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide?
4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 63299749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).