3-acetyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide

C19H22N2O3S — CID 90619999

IUPAC3-acetyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCC2CCCN2c2ccccc2)c1
InChIInChI=1S/C19H22N2O3S/c1-15(22)16-7-5-11-19(13-16)25(23,24)20-14-18-10-6-12-21(18)17-8-3-2-4-9-17/h2-5,7-9,11,13,18,20H,6,10,12,14H2,1H3
InChIKeySFYUTEVEMHTNOV-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.84
Rot. Bonds6

About 3-acetyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide

3-acetyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide (PubChem CID 90619999) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-acetyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide
PubChem CID90619999
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name3-acetyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCC2CCCN2c2ccccc2)c1
InChIInChI=1S/C19H22N2O3S/c1-15(22)16-7-5-11-19(13-16)25(23,24)20-14-18-10-6-12-21(18)17-8-3-2-4-9-17/h2-5,7-9,11,13,18,20H,6,10,12,14H2,1H3
InChIKeySFYUTEVEMHTNOV-UHFFFAOYSA-N
XLogP2.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(1-phenylpyrrolidin-2-yl)methylsulfamoyl]benzoate
CID 90620037
1-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 117028425
2,6-dichloro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 90620054
4-[(3-methylphenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 90619813
N-[(1-phenylpyrrolidin-2-yl)methyl]propane-2-sulfonamide
CID 90619970
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 99903578
3-acetyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzenesulfonamide
CID 110367066
N-benzyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119650431
1-[3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 66260795
1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 79028773
3-acetyl-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide
CID 103838022
3-[(2-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)methylsulfamoyl]benzoic acid
CID 167761085

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide (CID 90619999) is 3-acetyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCC2CCCN2c2ccccc2)c1.
What is the InChIKey of 3-acetyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide?
The InChIKey is SFYUTEVEMHTNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-15(22)16-7-5-11-19(13-16)25(23,24)20-14-18-10-6-12-21(18)17-8-3-2-4-9-17/h2-5,7-9,11,13,18,20H,6,10,12,14H2,1H3.
What are the key properties of 3-acetyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide?
3-acetyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 90619999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).