N-(4-methoxyphenyl)-2-pyrrolidin-2-ylethanesulfonamide

C13H20N2O3S — CID 115071361

IUPACN-(4-methoxyphenyl)-2-pyrrolidin-2-ylethanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)CCC2CCCN2)cc1
InChIInChI=1S/C13H20N2O3S/c1-18-13-6-4-12(5-7-13)15-19(16,17)10-8-11-3-2-9-14-11/h4-7,11,14-15H,2-3,8-10H2,1H3
InChIKeyXORYKMUOFPPXHT-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.58
Rot. Bonds6

About N-(4-methoxyphenyl)-2-pyrrolidin-2-ylethanesulfonamide

N-(4-methoxyphenyl)-2-pyrrolidin-2-ylethanesulfonamide (PubChem CID 115071361) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-pyrrolidin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-pyrrolidin-2-ylethanesulfonamide
PubChem CID115071361
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(4-methoxyphenyl)-2-pyrrolidin-2-ylethanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)CCC2CCCN2)cc1
InChIInChI=1S/C13H20N2O3S/c1-18-13-6-4-12(5-7-13)15-19(16,17)10-8-11-3-2-9-14-11/h4-7,11,14-15H,2-3,8-10H2,1H3
InChIKeyXORYKMUOFPPXHT-UHFFFAOYSA-N
XLogP1.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide
CID 60864201
(2S)-2-[(4-methoxyphenyl)sulfonylmethyl]pyrrolidine
CID 42263004
2-(azetidin-2-yl)-N-(4-hydroxyphenyl)ethanesulfonamide
CID 115071321
2-piperidin-2-yl-N-thiophen-3-ylethanesulfonamide
CID 66353750
4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974273
1-(4-methoxyphenyl)-3-(2-piperidin-2-ylethyl)urea
CID 24703297
N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide
CID 112987552
N-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine
CID 61418183
N-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide
CID 60865299
N-propyl-2-pyrrolidin-2-ylethanesulfonamide
CID 115071362
N-[4-(butylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119800516
2-[2-(4-methoxyphenyl)ethylsulfonylmethyl]piperidine
CID 115071228

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-pyrrolidin-2-ylethanesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-2-pyrrolidin-2-ylethanesulfonamide (CID 115071361) is N-(4-methoxyphenyl)-2-pyrrolidin-2-ylethanesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-pyrrolidin-2-ylethanesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-pyrrolidin-2-ylethanesulfonamide is COc1ccc(NS(=O)(=O)CCC2CCCN2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-pyrrolidin-2-ylethanesulfonamide?
The InChIKey is XORYKMUOFPPXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-18-13-6-4-12(5-7-13)15-19(16,17)10-8-11-3-2-9-14-11/h4-7,11,14-15H,2-3,8-10H2,1H3.
What are the key properties of N-(4-methoxyphenyl)-2-pyrrolidin-2-ylethanesulfonamide?
N-(4-methoxyphenyl)-2-pyrrolidin-2-ylethanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-pyrrolidin-2-ylethanesulfonamide is sourced from PubChem (CID 115071361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).