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

C13H20N2O2S — CID 107423198

IUPAC4-ethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2(C)CCNC2)cc1
InChIInChI=1S/C13H20N2O2S/c1-3-11-4-6-12(7-5-11)18(16,17)15-13(2)8-9-14-10-13/h4-7,14-15H,3,8-10H2,1-2H3
InChIKeyQXKYXAJZYGPDDT-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.28
Rot. Bonds4

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

4-ethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide (PubChem CID 107423198) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-ethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
PubChem CID107423198
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-ethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2(C)CCNC2)cc1
InChIInChI=1S/C13H20N2O2S/c1-3-11-4-6-12(7-5-11)18(16,17)15-13(2)8-9-14-10-13/h4-7,14-15H,3,8-10H2,1-2H3
InChIKeyQXKYXAJZYGPDDT-UHFFFAOYSA-N
XLogP1.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
CID 107423356
methyl 4-[(3-methylpyrrolidin-3-yl)sulfamoyl]benzoate
CID 107423157
4-ethyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 51642152
4-ethyl-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 55082213
4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 47377345
3-acetyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
CID 107423148
2,3,4,5,6-pentamethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
CID 107423252
methyl 4-[(3-methylpyrrolidin-3-yl)sulfamoylmethyl]benzoate
CID 107423375
5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-3-sulfonamide
CID 107423348
4-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 700216
4,5-dimethyl-N-(3-methylpyrrolidin-3-yl)-2-nitrobenzenesulfonamide
CID 107423141
4-hydroxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 64687056

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide (CID 107423198) is 4-ethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide is CCc1ccc(S(=O)(=O)NC2(C)CCNC2)cc1.
What is the InChIKey of 4-ethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is QXKYXAJZYGPDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-11-4-6-12(7-5-11)18(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-ethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide?
4-ethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 107423198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).