3-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propane-1-sulfonamide

C20H26N2O2S — CID 110413703

IUPAC3-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C20H26N2O2S/c23-25(24,15-7-10-18-8-3-1-4-9-18)21-16-19-13-14-22(17-19)20-11-5-2-6-12-20/h1-6,8-9,11-12,19,21H,7,10,13-17H2
InChIKeyDDEMLUWAYWGKPJ-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.07
Rot. Bonds8

About 3-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propane-1-sulfonamide

3-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propane-1-sulfonamide (PubChem CID 110413703) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 3-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propane-1-sulfonamide
PubChem CID110413703
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name3-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C20H26N2O2S/c23-25(24,15-7-10-18-8-3-1-4-9-18)21-16-19-13-14-22(17-19)20-11-5-2-6-12-20/h1-6,8-9,11-12,19,21H,7,10,13-17H2
InChIKeyDDEMLUWAYWGKPJ-UHFFFAOYSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-2-phenylethanesulfonamide
CID 110640741
N-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110736247
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]butane-1-sulfonamide
CID 110640605
4-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640330
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 121109573
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
1-(2-methylphenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 110413827
2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640329
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 121108365
3-bromo-2-cyano-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 119038418
1-(2-chlorophenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 110413831
2-methylsulfonyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 51082052

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 3-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propane-1-sulfonamide (CID 110413703) is 3-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propane-1-sulfonamide is O=S(=O)(CCCc1ccccc1)NCC1CCN(c2ccccc2)C1.
What is the InChIKey of 3-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propane-1-sulfonamide?
The InChIKey is DDEMLUWAYWGKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c23-25(24,15-7-10-18-8-3-1-4-9-18)21-16-19-13-14-22(17-19)20-11-5-2-6-12-20/h1-6,8-9,11-12,19,21H,7,10,13-17H2.
What are the key properties of 3-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propane-1-sulfonamide?
3-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propane-1-sulfonamide has a molecular weight of 358.51 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 110413703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).