4-ethoxy-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide

C13H20N2O3S — CID 107423356

IUPAC4-ethoxy-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2(C)CCNC2)cc1
InChIInChI=1S/C13H20N2O3S/c1-3-18-11-4-6-12(7-5-11)19(16,17)15-13(2)8-9-14-10-13/h4-7,14-15H,3,8-10H2,1-2H3
InChIKeySFGMMVSIYXULQI-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.12
Rot. Bonds5

About 4-ethoxy-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide

4-ethoxy-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide (PubChem CID 107423356) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-ethoxy-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
PubChem CID107423356
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-ethoxy-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2(C)CCNC2)cc1
InChIInChI=1S/C13H20N2O3S/c1-3-18-11-4-6-12(7-5-11)19(16,17)15-13(2)8-9-14-10-13/h4-7,14-15H,3,8-10H2,1-2H3
InChIKeySFGMMVSIYXULQI-UHFFFAOYSA-N
XLogP1.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
CID 107423198
methyl 4-[(3-methylpyrrolidin-3-yl)sulfamoyl]benzoate
CID 107423157
4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 47377345
N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670703
3-acetyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
CID 107423148
2,3,4,5,6-pentamethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
CID 107423252
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-ethoxybenzenesulfonamide
CID 43597428
methyl 4-[(3-methylpyrrolidin-3-yl)sulfamoylmethyl]benzoate
CID 107423375
N-(4-ethoxyphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140867
5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-3-sulfonamide
CID 107423348
4-ethoxy-N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
CID 54774369

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide (CID 107423356) is 4-ethoxy-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NC2(C)CCNC2)cc1.
What is the InChIKey of 4-ethoxy-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is SFGMMVSIYXULQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-18-11-4-6-12(7-5-11)19(16,17)15-13(2)8-9-14-10-13/h4-7,14-15H,3,8-10H2,1-2H3.
What are the key properties of 4-ethoxy-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide?
4-ethoxy-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 107423356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).