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

C16H17NO3S — CID 62133605

IUPAC4-(3-phenylpyrrolidin-1-yl)sulfonylphenol
SMILESO=S(=O)(c1ccc(O)cc1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C16H17NO3S/c18-15-6-8-16(9-7-15)21(19,20)17-11-10-14(12-17)13-4-2-1-3-5-13/h1-9,14,18H,10-12H2
InChIKeyBDERGVMWYRODAO-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.57
Rot. Bonds3

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

4-(3-phenylpyrrolidin-1-yl)sulfonylphenol (PubChem CID 62133605) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-(3-phenylpyrrolidin-1-yl)sulfonylphenol.

Molecular Properties

Compound Name4-(3-phenylpyrrolidin-1-yl)sulfonylphenol
PubChem CID62133605
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name4-(3-phenylpyrrolidin-1-yl)sulfonylphenol
SMILESO=S(=O)(c1ccc(O)cc1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C16H17NO3S/c18-15-6-8-16(9-7-15)21(19,20)17-11-10-14(12-17)13-4-2-1-3-5-13/h1-9,14,18H,10-12H2
InChIKeyBDERGVMWYRODAO-UHFFFAOYSA-N
XLogP2.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-phenylpyrrolidin-1-yl)sulfonylaniline
CID 62131922
1-[4-(3-phenylpyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 51055236
(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine
CID 134848114
3-phenylpyrrolidine-1-sulfonamide
CID 112687850
1-[4-(3-phenylazepan-1-yl)sulfonylphenyl]ethanone
CID 90608668
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
2-chloro-3-fluoro-5-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylbenzoic acid
CID 99702645
methyl 4-(3-phenylazepan-1-yl)sulfonylbenzoate
CID 90608691
2-[3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]phenyl]acetic acid
CID 24863517
N,N-diethyl-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 51686308
[4-[1-(benzenesulfonyl)piperidin-4-yl]phenyl]boronic acid
CID 58343660

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpyrrolidin-1-yl)sulfonylphenol?
The IUPAC name of 4-(3-phenylpyrrolidin-1-yl)sulfonylphenol (CID 62133605) is 4-(3-phenylpyrrolidin-1-yl)sulfonylphenol.
What is the SMILES notation for 4-(3-phenylpyrrolidin-1-yl)sulfonylphenol?
The canonical SMILES for 4-(3-phenylpyrrolidin-1-yl)sulfonylphenol is O=S(=O)(c1ccc(O)cc1)N1CCC(c2ccccc2)C1.
What is the InChIKey of 4-(3-phenylpyrrolidin-1-yl)sulfonylphenol?
The InChIKey is BDERGVMWYRODAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-15-6-8-16(9-7-15)21(19,20)17-11-10-14(12-17)13-4-2-1-3-5-13/h1-9,14,18H,10-12H2.
What are the key properties of 4-(3-phenylpyrrolidin-1-yl)sulfonylphenol?
4-(3-phenylpyrrolidin-1-yl)sulfonylphenol has a molecular weight of 303.38 g/mol, XLogP of 2.57, 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)sulfonylphenol is sourced from PubChem (CID 62133605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).