2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide

C14H22N2O2S — CID 63623443

IUPAC2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC2CCNC2)c1
InChIInChI=1S/C14H22N2O2S/c1-11-3-4-12(2)14(9-11)19(17,18)16-8-6-13-5-7-15-10-13/h3-4,9,13,15-16H,5-8,10H2,1-2H3
InChIKeyZVPVBJSXOWFXDW-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.58
Rot. Bonds5

About 2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide

2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide (PubChem CID 63623443) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
PubChem CID63623443
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC2CCNC2)c1
InChIInChI=1S/C14H22N2O2S/c1-11-3-4-12(2)14(9-11)19(17,18)16-8-6-13-5-7-15-10-13/h3-4,9,13,15-16H,5-8,10H2,1-2H3
InChIKeyZVPVBJSXOWFXDW-UHFFFAOYSA-N
XLogP1.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977169
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 63629233
2,5-dimethyl-3-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
CID 124698243
2,3,5,6-tetramethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63623439
2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979725
4-bromo-3-methyl-N-[2-[(3S)-pyrrolidin-3-yl]ethyl]benzenesulfonamide
CID 98571467
5-bromo-2-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride
CID 119976925
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720902
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977027
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63624523
2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979225

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide (CID 63623443) is 2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCCC2CCNC2)c1.
What is the InChIKey of 2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide?
The InChIKey is ZVPVBJSXOWFXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-3-4-12(2)14(9-11)19(17,18)16-8-6-13-5-7-15-10-13/h3-4,9,13,15-16H,5-8,10H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide?
2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 63623443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).