4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide

C14H22N2O2S — CID 104972462

IUPAC4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC[C@H]2CCCN2)cc1
InChIInChI=1S/C14H22N2O2S/c1-2-12-5-7-14(8-6-12)19(17,18)16-11-9-13-4-3-10-15-13/h5-8,13,15-16H,2-4,9-11H2,1H3/t13-/m1/s1
InChIKeyDXQWEAONCJAPLY-CYBMUJFWSA-N
MW282.41 g/mol
LogP1.67
Rot. Bonds6

About 4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide

4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide (PubChem CID 104972462) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
PubChem CID104972462
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC[C@H]2CCCN2)cc1
InChIInChI=1S/C14H22N2O2S/c1-2-12-5-7-14(8-6-12)19(17,18)16-11-9-13-4-3-10-15-13/h5-8,13,15-16H,2-4,9-11H2,1H3/t13-/m1/s1
InChIKeyDXQWEAONCJAPLY-CYBMUJFWSA-N
XLogP1.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723443
4-nitro-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 57035740
N-methyl-4-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]benzamide
CID 104972549
N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
CID 115210402
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 104972659
3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723468
1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-3-sulfonamide
CID 104972646
4-ethoxy-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972556
1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-sulfonamide
CID 114794170
N-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine
CID 115211157
1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972619
5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723547

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide (CID 104972462) is 4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCC[C@H]2CCCN2)cc1.
What is the InChIKey of 4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide?
The InChIKey is DXQWEAONCJAPLY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-12-5-7-14(8-6-12)19(17,18)16-11-9-13-4-3-10-15-13/h5-8,13,15-16H,2-4,9-11H2,1H3/t13-/m1/s1.
What are the key properties of 4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide?
4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 104972462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).