3-acetyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide

C15H22N2O3S — CID 63274742

IUPAC3-acetyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(C)CC2CCN(C)C2)c1
InChIInChI=1S/C15H22N2O3S/c1-12(18)14-5-4-6-15(9-14)21(19,20)17(3)11-13-7-8-16(2)10-13/h4-6,9,13H,7-8,10-11H2,1-3H3
InChIKeyGUQXWBNRQOUUIV-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.46
Rot. Bonds5

About 3-acetyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide

3-acetyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide (PubChem CID 63274742) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-acetyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
PubChem CID63274742
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name3-acetyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(C)CC2CCN(C)C2)c1
InChIInChI=1S/C15H22N2O3S/c1-12(18)14-5-4-6-15(9-14)21(19,20)17(3)11-13-7-8-16(2)10-13/h4-6,9,13H,7-8,10-11H2,1-3H3
InChIKeyGUQXWBNRQOUUIV-UHFFFAOYSA-N
XLogP1.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]benzenecarbothioamide
CID 63273988
4-[[(3-acetylphenyl)sulfonyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide
CID 75447719
1-[3-[(1-methylpyrrolidin-3-yl)methyl]phenyl]ethanone
CID 105471558
3-acetyl-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630402
4-amino-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 82843657
3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272373
2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-sulfonamide
CID 63275008
N,2-dimethyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 118549662
1-[3-(3-aminopyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 62067980
3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 55170280
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
1-[4-hydroxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanone
CID 63274058

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide (CID 63274742) is 3-acetyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)N(C)CC2CCN(C)C2)c1.
What is the InChIKey of 3-acetyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The InChIKey is GUQXWBNRQOUUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12(18)14-5-4-6-15(9-14)21(19,20)17(3)11-13-7-8-16(2)10-13/h4-6,9,13H,7-8,10-11H2,1-3H3.
What are the key properties of 3-acetyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide?
3-acetyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 63274742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).