3-(3-pyrrolidin-1-ylsulfonylphenyl)phenol

C16H17NO3S — CID 53218745

IUPAC3-(3-pyrrolidin-1-ylsulfonylphenyl)phenol
SMILESO=S(=O)(c1cccc(-c2cccc(O)c2)c1)N1CCCC1
InChIInChI=1S/C16H17NO3S/c18-15-7-3-5-13(11-15)14-6-4-8-16(12-14)21(19,20)17-9-1-2-10-17/h3-8,11-12,18H,1-2,9-10H2
InChIKeySZONNKVWLDWWGP-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.84
Rot. Bonds3

About 3-(3-pyrrolidin-1-ylsulfonylphenyl)phenol

3-(3-pyrrolidin-1-ylsulfonylphenyl)phenol (PubChem CID 53218745) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 3-(3-pyrrolidin-1-ylsulfonylphenyl)phenol.

Molecular Properties

Compound Name3-(3-pyrrolidin-1-ylsulfonylphenyl)phenol
PubChem CID53218745
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name3-(3-pyrrolidin-1-ylsulfonylphenyl)phenol
SMILESO=S(=O)(c1cccc(-c2cccc(O)c2)c1)N1CCCC1
InChIInChI=1S/C16H17NO3S/c18-15-7-3-5-13(11-15)14-6-4-8-16(12-14)21(19,20)17-9-1-2-10-17/h3-8,11-12,18H,1-2,9-10H2
InChIKeySZONNKVWLDWWGP-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-pyrrolidin-1-ylsulfonylphenyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid
CID 53228934
2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzaldehyde
CID 53220672
2-(3-pyrrolidin-1-ylsulfonylphenyl)pyridin-3-ol
CID 53218283
4-(3-hydroxyphenyl)sulfonylpiperazine-1-carboxylic acid
CID 18473250
1-(3-phenylphenyl)sulfonyl-1,4-diazepane
CID 120999353
1-(3-methylsulfonylphenyl)sulfonylazepane
CID 6457455
3-(azepan-1-ylsulfonyl)aniline
CID 5004919
1-(3-hydroxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106670534
3-pyrrolidin-1-ylsulfonylbenzoyl chloride
CID 18801888
2-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
CID 2408760
3-(azetidin-1-ylsulfonyl)aniline
CID 130546539
1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258512

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrrolidin-1-ylsulfonylphenyl)phenol?
The IUPAC name of 3-(3-pyrrolidin-1-ylsulfonylphenyl)phenol (CID 53218745) is 3-(3-pyrrolidin-1-ylsulfonylphenyl)phenol.
What is the SMILES notation for 3-(3-pyrrolidin-1-ylsulfonylphenyl)phenol?
The canonical SMILES for 3-(3-pyrrolidin-1-ylsulfonylphenyl)phenol is O=S(=O)(c1cccc(-c2cccc(O)c2)c1)N1CCCC1.
What is the InChIKey of 3-(3-pyrrolidin-1-ylsulfonylphenyl)phenol?
The InChIKey is SZONNKVWLDWWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-15-7-3-5-13(11-15)14-6-4-8-16(12-14)21(19,20)17-9-1-2-10-17/h3-8,11-12,18H,1-2,9-10H2.
What are the key properties of 3-(3-pyrrolidin-1-ylsulfonylphenyl)phenol?
3-(3-pyrrolidin-1-ylsulfonylphenyl)phenol has a molecular weight of 303.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrrolidin-1-ylsulfonylphenyl)phenol is sourced from PubChem (CID 53218745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).