(2R)-N-(2-hydroxy-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide

C12H16N2O4S — CID 104901321

IUPAC(2R)-N-(2-hydroxy-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2CCCN2)c1
InChIInChI=1S/C12H16N2O4S/c1-19(17,18)8-4-5-11(15)10(7-8)14-12(16)9-3-2-6-13-9/h4-5,7,9,13,15H,2-3,6H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyFQNULQQMXLIEAP-SECBINFHSA-N
MW284.34 g/mol
LogP0.49
Rot. Bonds3

About (2R)-N-(2-hydroxy-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide

(2R)-N-(2-hydroxy-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide (PubChem CID 104901321) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is (2R)-N-(2-hydroxy-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-hydroxy-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide
PubChem CID104901321
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name(2R)-N-(2-hydroxy-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2CCCN2)c1
InChIInChI=1S/C12H16N2O4S/c1-19(17,18)8-4-5-11(15)10(7-8)14-12(16)9-3-2-6-13-9/h4-5,7,9,13,15H,2-3,6H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyFQNULQQMXLIEAP-SECBINFHSA-N
XLogP0.49
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-5-methylsulfonylphenyl)azepane-2-carboxamide
CID 81421925
N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide
CID 43703422
(2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide
CID 104912877
N-(2-hydroxy-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 81433795
N-(2-hydroxy-5-methylsulfonylphenyl)-5-oxopiperazine-2-carboxamide
CID 107437267
N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 43710867
N-(2-hydroxy-5-nitrophenyl)azepane-2-carboxamide
CID 107744864
(2R)-N-(2-methoxy-5-sulfamoylphenyl)piperidine-2-carboxamide
CID 104913098
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666
(2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide
CID 45112179
(2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 104912791
N-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 89036511

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-hydroxy-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-hydroxy-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide (CID 104901321) is (2R)-N-(2-hydroxy-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-hydroxy-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-hydroxy-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide is CS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2CCCN2)c1.
What is the InChIKey of (2R)-N-(2-hydroxy-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is FQNULQQMXLIEAP-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-19(17,18)8-4-5-11(15)10(7-8)14-12(16)9-3-2-6-13-9/h4-5,7,9,13,15H,2-3,6H2,1H3,(H,14,16)/t9-/m1/s1.
What are the key properties of (2R)-N-(2-hydroxy-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide?
(2R)-N-(2-hydroxy-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-hydroxy-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 104901321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).