N-(2-hydroxy-5-methylphenyl)pyrrolidine-1-sulfonamide

C11H16N2O3S — CID 54936857

IUPACN-(2-hydroxy-5-methylphenyl)pyrrolidine-1-sulfonamide
SMILESCc1ccc(O)c(NS(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C11H16N2O3S/c1-9-4-5-11(14)10(8-9)12-17(15,16)13-6-2-3-7-13/h4-5,8,12,14H,2-3,6-7H2,1H3
InChIKeyANXDRWKLPHHTPP-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.45
Rot. Bonds3

About N-(2-hydroxy-5-methylphenyl)pyrrolidine-1-sulfonamide

N-(2-hydroxy-5-methylphenyl)pyrrolidine-1-sulfonamide (PubChem CID 54936857) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)pyrrolidine-1-sulfonamide
PubChem CID54936857
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-(2-hydroxy-5-methylphenyl)pyrrolidine-1-sulfonamide
SMILESCc1ccc(O)c(NS(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C11H16N2O3S/c1-9-4-5-11(14)10(8-9)12-17(15,16)13-6-2-3-7-13/h4-5,8,12,14H,2-3,6-7H2,1H3
InChIKeyANXDRWKLPHHTPP-UHFFFAOYSA-N
XLogP1.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dihydroxyphenyl)pyrrolidine-1-sulfonamide
CID 154467539
N-(2-hydroxy-5-methoxyphenyl)pyrrolidine-1-sulfonamide
CID 103760192
N-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide
CID 43436716
1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858070
N-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60561901
N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide
CID 43806682
N-(2-hydroxy-5-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 60918497
N-(5-fluoro-2-hydroxyphenyl)morpholine-4-sulfonamide
CID 64794956
N-(5-chloro-2-hydroxy-3-methylphenyl)azepane-1-sulfonamide
CID 115663123
N-(2-methyl-5-sulfamoylphenyl)piperidine-1-sulfonamide
CID 61132651
N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 112557529
N-(2-hydroxy-5-methoxyphenyl)-4-methylpiperidine-1-sulfonamide
CID 102696009

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)pyrrolidine-1-sulfonamide (CID 54936857) is N-(2-hydroxy-5-methylphenyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)pyrrolidine-1-sulfonamide is Cc1ccc(O)c(NS(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)pyrrolidine-1-sulfonamide?
The InChIKey is ANXDRWKLPHHTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-9-4-5-11(14)10(8-9)12-17(15,16)13-6-2-3-7-13/h4-5,8,12,14H,2-3,6-7H2,1H3.
What are the key properties of N-(2-hydroxy-5-methylphenyl)pyrrolidine-1-sulfonamide?
N-(2-hydroxy-5-methylphenyl)pyrrolidine-1-sulfonamide has a molecular weight of 256.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 54936857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).