2-hydroxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzonitrile

C17H16N2O3S — CID 53220260

IUPAC2-hydroxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1O
InChIInChI=1S/C17H16N2O3S/c18-12-15-4-3-14(11-17(15)20)13-5-7-16(8-6-13)23(21,22)19-9-1-2-10-19/h3-8,11,20H,1-2,9-10H2
InChIKeyWIZYXENATNNQBS-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.72
Rot. Bonds3

About 2-hydroxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzonitrile

2-hydroxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzonitrile (PubChem CID 53220260) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-hydroxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzonitrile.

Molecular Properties

Compound Name2-hydroxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzonitrile
PubChem CID53220260
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name2-hydroxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1O
InChIInChI=1S/C17H16N2O3S/c18-12-15-4-3-14(11-17(15)20)13-5-7-16(8-6-13)23(21,22)19-9-1-2-10-19/h3-8,11,20H,1-2,9-10H2
InChIKeyWIZYXENATNNQBS-UHFFFAOYSA-N
XLogP2.72
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(4-piperidin-1-ylsulfonylphenyl)phenol
CID 53221589
2-hydroxy-5-(4-piperidin-1-ylsulfonylphenyl)benzaldehyde
CID 53220683
3-hydroxy-5-(4-pyrrolidin-1-ylsulfonylphenyl)benzoic acid
CID 53228964
[4-(4-cyanophenyl)phenyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 4009983
3-methoxy-5-(4-pyrrolidin-1-ylsulfonylphenyl)benzoic acid
CID 53228977
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
2-hydroxy-4-phenylbenzonitrile
CID 23148964
4-(azepan-1-ylsulfonyl)-N-(3-chloro-4-cyanophenyl)benzamide
CID 8923382
N-[3-(4-cyano-3-hydroxyphenyl)-5-methylphenyl]-4-methylbenzenesulfonamide
CID 46833322
3-chloro-5-(4-piperidin-1-ylsulfonylphenyl)benzoic acid
CID 53229074
3-fluoro-5-(4-piperidin-1-ylsulfonylphenyl)benzoic acid
CID 53229065
4-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]benzonitrile
CID 143369390

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzonitrile?
The IUPAC name of 2-hydroxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzonitrile (CID 53220260) is 2-hydroxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzonitrile.
What is the SMILES notation for 2-hydroxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzonitrile?
The canonical SMILES for 2-hydroxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzonitrile is N#Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1O.
What is the InChIKey of 2-hydroxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzonitrile?
The InChIKey is WIZYXENATNNQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c18-12-15-4-3-14(11-17(15)20)13-5-7-16(8-6-13)23(21,22)19-9-1-2-10-19/h3-8,11,20H,1-2,9-10H2.
What are the key properties of 2-hydroxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzonitrile?
2-hydroxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzonitrile has a molecular weight of 328.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzonitrile is sourced from PubChem (CID 53220260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).