2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C13H20N2O3S — CID 55084395

IUPAC2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCC1CCCN1
InChIInChI=1S/C13H20N2O3S/c1-10-5-6-12(18-2)13(8-10)19(16,17)15-9-11-4-3-7-14-11/h5-6,8,11,14-15H,3-4,7,9H2,1-2H3
InChIKeyLPNKLJNRNBOPPP-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.03
Rot. Bonds5

About 2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 55084395) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID55084395
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCC1CCCN1
InChIInChI=1S/C13H20N2O3S/c1-10-5-6-12(18-2)13(8-10)19(16,17)15-9-11-4-3-7-14-11/h5-6,8,11,14-15H,3-4,7,9H2,1-2H3
InChIKeyLPNKLJNRNBOPPP-UHFFFAOYSA-N
XLogP1.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94479302
N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 142023630
2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119974021
2-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972561
methyl 4-methyl-3-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 62541476
3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974293
4-methoxy-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974453
4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084488
2-fluoro-5-methyl-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 114794247
3-methoxy-4-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974146
methyl 4-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)thiophene-2-carboxylate;hydrochloride
CID 119974355
4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974457

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 55084395) is 2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCC1CCCN1.
What is the InChIKey of 2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is LPNKLJNRNBOPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-5-6-12(18-2)13(8-10)19(16,17)15-9-11-4-3-7-14-11/h5-6,8,11,14-15H,3-4,7,9H2,1-2H3.
What are the key properties of 2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 55084395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).