4-ethoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

C15H24N2O3S — CID 110753644

IUPAC4-ethoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CCN2CCCC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-20-14-6-8-15(9-7-14)21(18,19)16(2)12-13-17-10-4-5-11-17/h6-9H,3-5,10-13H2,1-2H3
InChIKeySBRAGPZKPVAHOZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.80
Rot. Bonds7

About 4-ethoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

4-ethoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 110753644) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID110753644
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-ethoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CCN2CCCC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-20-14-6-8-15(9-7-14)21(18,19)16(2)12-13-17-10-4-5-11-17/h6-9H,3-5,10-13H2,1-2H3
InChIKeySBRAGPZKPVAHOZ-UHFFFAOYSA-N
XLogP1.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110753645
4-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63211293
4-ethoxy-N-pyrrolidin-3-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 146065088
4-(2-aminoethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63208977
6-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 63209121
4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 50788677
N-[4-[methyl(2-piperidin-1-ylethyl)sulfamoyl]phenyl]acetamide
CID 110753478
4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 87032847
N-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide
CID 95748590
3-amino-4-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63207084
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
4-ethoxy-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 3163384

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 110753644) is 4-ethoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C)CCN2CCCC2)cc1.
What is the InChIKey of 4-ethoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is SBRAGPZKPVAHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-20-14-6-8-15(9-7-14)21(18,19)16(2)12-13-17-10-4-5-11-17/h6-9H,3-5,10-13H2,1-2H3.
What are the key properties of 4-ethoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
4-ethoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 110753644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).