3-phenylpyrrolidine-1-sulfonamide

C10H14N2O2S — CID 112687850

IUPAC3-phenylpyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C10H14N2O2S/c11-15(13,14)12-7-6-10(8-12)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,11,13,14)
InChIKeyDBOSVEVFZYDNLK-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.68
Rot. Bonds2

About 3-phenylpyrrolidine-1-sulfonamide

3-phenylpyrrolidine-1-sulfonamide (PubChem CID 112687850) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-phenylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-phenylpyrrolidine-1-sulfonamide
PubChem CID112687850
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name3-phenylpyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C10H14N2O2S/c11-15(13,14)12-7-6-10(8-12)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,11,13,14)
InChIKeyDBOSVEVFZYDNLK-UHFFFAOYSA-N
XLogP0.68
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-tert-butylsulfonyl-4-phenylpiperidine
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1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine
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1-(4-phenylpiperidin-1-yl)sulfonylpiperazine
CID 61251949
2-(3-pyridin-4-ylpyrrolidin-1-yl)sulfonylphenol
CID 155953521
(3S)-3-phenylpyrrolidine-1-carbaldehyde
CID 175059746
4-methyl-5-(3-phenylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-phenylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-phenylpyrrolidine-1-sulfonamide (CID 112687850) is 3-phenylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-phenylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-phenylpyrrolidine-1-sulfonamide is NS(=O)(=O)N1CCC(c2ccccc2)C1.
What is the InChIKey of 3-phenylpyrrolidine-1-sulfonamide?
The InChIKey is DBOSVEVFZYDNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c11-15(13,14)12-7-6-10(8-12)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,11,13,14).
What are the key properties of 3-phenylpyrrolidine-1-sulfonamide?
3-phenylpyrrolidine-1-sulfonamide has a molecular weight of 226.30 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 112687850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).