4-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide

C19H24N2O2S — CID 110640330

IUPAC4-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCN(c3ccccc3)C2)cc1
InChIInChI=1S/C19H24N2O2S/c1-2-16-8-10-19(11-9-16)24(22,23)20-14-17-12-13-21(15-17)18-6-4-3-5-7-18/h3-11,17,20H,2,12-15H2,1H3
InChIKeyWRVOEUDLGNCFBJ-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.05
Rot. Bonds6

About 4-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide

4-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide (PubChem CID 110640330) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
PubChem CID110640330
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name4-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCN(c3ccccc3)C2)cc1
InChIInChI=1S/C19H24N2O2S/c1-2-16-8-10-19(11-9-16)24(22,23)20-14-17-12-13-21(15-17)18-6-4-3-5-7-18/h3-11,17,20H,2,12-15H2,1H3
InChIKeyWRVOEUDLGNCFBJ-UHFFFAOYSA-N
XLogP3.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110640709
4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887425
4-ethyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640271
4-fluoro-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110640404
4-fluoro-2-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110413676
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-4-ethylbenzenesulfonamide
CID 121108447
2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640329
N-(cyclohexylmethyl)-4-ethylbenzenesulfonamide
CID 3776153
4-acetyl-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110640429
4-methoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110413945
3-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propane-1-sulfonamide
CID 110413703
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 110414099

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide (CID 110640330) is 4-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCC2CCN(c3ccccc3)C2)cc1.
What is the InChIKey of 4-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The InChIKey is WRVOEUDLGNCFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-2-16-8-10-19(11-9-16)24(22,23)20-14-17-12-13-21(15-17)18-6-4-3-5-7-18/h3-11,17,20H,2,12-15H2,1H3.
What are the key properties of 4-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide?
4-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110640330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).