4-(3-phenylpyrrolidin-1-yl)sulfonylaniline

C16H18N2O2S — CID 62131922

IUPAC4-(3-phenylpyrrolidin-1-yl)sulfonylaniline
SMILESNc1ccc(S(=O)(=O)N2CCC(c3ccccc3)C2)cc1
InChIInChI=1S/C16H18N2O2S/c17-15-6-8-16(9-7-15)21(19,20)18-11-10-14(12-18)13-4-2-1-3-5-13/h1-9,14H,10-12,17H2
InChIKeyOESWTFJOQWTKJG-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.45
Rot. Bonds3

About 4-(3-phenylpyrrolidin-1-yl)sulfonylaniline

4-(3-phenylpyrrolidin-1-yl)sulfonylaniline (PubChem CID 62131922) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-(3-phenylpyrrolidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name4-(3-phenylpyrrolidin-1-yl)sulfonylaniline
PubChem CID62131922
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name4-(3-phenylpyrrolidin-1-yl)sulfonylaniline
SMILESNc1ccc(S(=O)(=O)N2CCC(c3ccccc3)C2)cc1
InChIInChI=1S/C16H18N2O2S/c17-15-6-8-16(9-7-15)21(19,20)18-11-10-14(12-18)13-4-2-1-3-5-13/h1-9,14H,10-12,17H2
InChIKeyOESWTFJOQWTKJG-UHFFFAOYSA-N
XLogP2.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-phenylpyrrolidin-1-yl)sulfonylphenol
CID 62133605
1-[4-(3-phenylpyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 51055236
3-phenylpyrrolidine-1-sulfonamide
CID 112687850
(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine
CID 134848114
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonylaniline
CID 2052130
N,N-dimethyl-4-[(3S)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 51686303
1,3,3-trimethyl-5-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylindol-2-one
CID 92692890
4-(3-cyclopentylpyrrolidin-1-yl)sulfonylaniline
CID 139013801
2-chloro-3-fluoro-5-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylbenzoic acid
CID 99702645
1-[4-(3-phenylazepan-1-yl)sulfonylphenyl]ethanone
CID 90608668
N,N-diethyl-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 51686308
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline
CID 79175051

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpyrrolidin-1-yl)sulfonylaniline?
The IUPAC name of 4-(3-phenylpyrrolidin-1-yl)sulfonylaniline (CID 62131922) is 4-(3-phenylpyrrolidin-1-yl)sulfonylaniline.
What is the SMILES notation for 4-(3-phenylpyrrolidin-1-yl)sulfonylaniline?
The canonical SMILES for 4-(3-phenylpyrrolidin-1-yl)sulfonylaniline is Nc1ccc(S(=O)(=O)N2CCC(c3ccccc3)C2)cc1.
What is the InChIKey of 4-(3-phenylpyrrolidin-1-yl)sulfonylaniline?
The InChIKey is OESWTFJOQWTKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c17-15-6-8-16(9-7-15)21(19,20)18-11-10-14(12-18)13-4-2-1-3-5-13/h1-9,14H,10-12,17H2.
What are the key properties of 4-(3-phenylpyrrolidin-1-yl)sulfonylaniline?
4-(3-phenylpyrrolidin-1-yl)sulfonylaniline has a molecular weight of 302.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpyrrolidin-1-yl)sulfonylaniline is sourced from PubChem (CID 62131922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).