N-methyl-4-pyrrolidin-3-yloxybenzenesulfonamide

C11H16N2O3S — CID 62348367

IUPACN-methyl-4-pyrrolidin-3-yloxybenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(OC2CCNC2)cc1
InChIInChI=1S/C11H16N2O3S/c1-12-17(14,15)11-4-2-9(3-5-11)16-10-6-7-13-8-10/h2-5,10,12-13H,6-8H2,1H3
InChIKeyBZWMRIJFCQOASM-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.34
Rot. Bonds4

About N-methyl-4-pyrrolidin-3-yloxybenzenesulfonamide

N-methyl-4-pyrrolidin-3-yloxybenzenesulfonamide (PubChem CID 62348367) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-methyl-4-pyrrolidin-3-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-pyrrolidin-3-yloxybenzenesulfonamide
PubChem CID62348367
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-methyl-4-pyrrolidin-3-yloxybenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(OC2CCNC2)cc1
InChIInChI=1S/C11H16N2O3S/c1-12-17(14,15)11-4-2-9(3-5-11)16-10-6-7-13-8-10/h2-5,10,12-13H,6-8H2,1H3
InChIKeyBZWMRIJFCQOASM-UHFFFAOYSA-N
XLogP0.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenoxy)pyrrolidine
CID 18337173
(3S)-3-(4-fluorophenoxy)pyrrolidine
CID 26192125
N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide
CID 86322818
3-[4-(2-fluoro-4-methylsulfonylphenyl)phenoxy]pyrrolidine
CID 68606724
3-(4-nitrosophenoxy)pyrrolidine
CID 152791507
(3R)-3-(4-propan-2-ylphenoxy)pyrrolidine
CID 26192167
1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120998885
4-methoxy-N-(4-pyrrolidin-3-yloxynaphthalen-1-yl)benzenesulfonamide;hydrochloride
CID 67156366
3-[4-(1-fluoroethyl)phenoxy]pyrrolidine
CID 115026405
4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563364
3-[4-(difluoromethyl)phenoxy]pyrrolidine
CID 115028194
N-(4-cyclopentyloxyphenyl)-4-(methylsulfamoyl)benzamide
CID 38455287

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pyrrolidin-3-yloxybenzenesulfonamide?
The IUPAC name of N-methyl-4-pyrrolidin-3-yloxybenzenesulfonamide (CID 62348367) is N-methyl-4-pyrrolidin-3-yloxybenzenesulfonamide.
What is the SMILES notation for N-methyl-4-pyrrolidin-3-yloxybenzenesulfonamide?
The canonical SMILES for N-methyl-4-pyrrolidin-3-yloxybenzenesulfonamide is CNS(=O)(=O)c1ccc(OC2CCNC2)cc1.
What is the InChIKey of N-methyl-4-pyrrolidin-3-yloxybenzenesulfonamide?
The InChIKey is BZWMRIJFCQOASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-12-17(14,15)11-4-2-9(3-5-11)16-10-6-7-13-8-10/h2-5,10,12-13H,6-8H2,1H3.
What are the key properties of N-methyl-4-pyrrolidin-3-yloxybenzenesulfonamide?
N-methyl-4-pyrrolidin-3-yloxybenzenesulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pyrrolidin-3-yloxybenzenesulfonamide is sourced from PubChem (CID 62348367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).