4-ethoxy-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide

C15H24N2O3S — CID 104972556

IUPAC4-ethoxy-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC[C@H]2CCCN2)cc1C
InChIInChI=1S/C15H24N2O3S/c1-3-20-15-7-6-14(11-12(15)2)21(18,19)17-10-8-13-5-4-9-16-13/h6-7,11,13,16-17H,3-5,8-10H2,1-2H3/t13-/m1/s1
InChIKeyBMXYRWGPQDAKCW-CYBMUJFWSA-N
MW312.44 g/mol
LogP1.81
Rot. Bonds7

About 4-ethoxy-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide

4-ethoxy-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide (PubChem CID 104972556) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
PubChem CID104972556
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-ethoxy-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC[C@H]2CCCN2)cc1C
InChIInChI=1S/C15H24N2O3S/c1-3-20-15-7-6-14(11-12(15)2)21(18,19)17-10-8-13-5-4-9-16-13/h6-7,11,13,16-17H,3-5,8-10H2,1-2H3/t13-/m1/s1
InChIKeyBMXYRWGPQDAKCW-CYBMUJFWSA-N
XLogP1.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-propan-2-yloxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723398
4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972462
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
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 30126245
4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723443
3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43120052
1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-3-sulfonamide
CID 104972646
4-fluoro-2,6-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 107328359
4-fluoro-2,6-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 107328360
4-ethoxy-3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzenesulfonamide
CID 16890546
4-nitro-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 57035740

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide (CID 104972556) is 4-ethoxy-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCC[C@H]2CCCN2)cc1C.
What is the InChIKey of 4-ethoxy-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide?
The InChIKey is BMXYRWGPQDAKCW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-20-15-7-6-14(11-12(15)2)21(18,19)17-10-8-13-5-4-9-16-13/h6-7,11,13,16-17H,3-5,8-10H2,1-2H3/t13-/m1/s1.
What are the key properties of 4-ethoxy-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide?
4-ethoxy-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 104972556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).