2-methyl-5-pyrrolidin-1-ylbenzenesulfonamide

C11H16N2O2S — CID 168515790

IUPAC2-methyl-5-pyrrolidin-1-ylbenzenesulfonamide
SMILESCc1ccc(N2CCCC2)cc1S(N)(=O)=O
InChIInChI=1S/C11H16N2O2S/c1-9-4-5-10(13-6-2-3-7-13)8-11(9)16(12,14)15/h4-5,8H,2-3,6-7H2,1H3,(H2,12,14,15)
InChIKeyULCOKZLZOXTURW-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.24
Rot. Bonds2

About 2-methyl-5-pyrrolidin-1-ylbenzenesulfonamide

2-methyl-5-pyrrolidin-1-ylbenzenesulfonamide (PubChem CID 168515790) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-methyl-5-pyrrolidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-pyrrolidin-1-ylbenzenesulfonamide
PubChem CID168515790
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-methyl-5-pyrrolidin-1-ylbenzenesulfonamide
SMILESCc1ccc(N2CCCC2)cc1S(N)(=O)=O
InChIInChI=1S/C11H16N2O2S/c1-9-4-5-10(13-6-2-3-7-13)8-11(9)16(12,14)15/h4-5,8H,2-3,6-7H2,1H3,(H2,12,14,15)
InChIKeyULCOKZLZOXTURW-UHFFFAOYSA-N
XLogP1.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-pyrrolidin-1-ylphenol;hydrobromide
CID 154577359
1-(3-bromo-4-methylsulfonylphenyl)piperidine
CID 169336524
2-methyl-4-pyrrolidin-1-ylaniline;dihydrochloride
CID 47002820
N-[4-(azepan-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 112985765
4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 110361741
N-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362204
N-[5-(azepan-1-yl)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide
CID 13062385
2-amino-4-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 80646144
2-methyl-5-methylsulfonylbenzenesulfonamide
CID 597880
2-amino-4-(4-ethylazepan-1-yl)benzenesulfonamide
CID 79466454
2-methyl-4-pyrrolidin-1-ylbenzaldehyde
CID 958834
2-chloro-5-(4-pyrrolidin-1-ylbenzoyl)benzenesulfonamide
CID 58107415

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyrrolidin-1-ylbenzenesulfonamide?
The IUPAC name of 2-methyl-5-pyrrolidin-1-ylbenzenesulfonamide (CID 168515790) is 2-methyl-5-pyrrolidin-1-ylbenzenesulfonamide.
What is the SMILES notation for 2-methyl-5-pyrrolidin-1-ylbenzenesulfonamide?
The canonical SMILES for 2-methyl-5-pyrrolidin-1-ylbenzenesulfonamide is Cc1ccc(N2CCCC2)cc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-5-pyrrolidin-1-ylbenzenesulfonamide?
The InChIKey is ULCOKZLZOXTURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-9-4-5-10(13-6-2-3-7-13)8-11(9)16(12,14)15/h4-5,8H,2-3,6-7H2,1H3,(H2,12,14,15).
What are the key properties of 2-methyl-5-pyrrolidin-1-ylbenzenesulfonamide?
2-methyl-5-pyrrolidin-1-ylbenzenesulfonamide has a molecular weight of 240.33 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyrrolidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 168515790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).