N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide

C12H17NO4S — CID 63247039

IUPACN-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CC2CCCO2)c(O)c1
InChIInChI=1S/C12H17NO4S/c1-9-4-5-11(12(14)7-9)13-18(15,16)8-10-3-2-6-17-10/h4-5,7,10,13-14H,2-3,6,8H2,1H3
InChIKeyRTJDQWAHAPXSIK-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.62
Rot. Bonds4

About N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide

N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63247039) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63247039
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC NameN-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CC2CCCO2)c(O)c1
InChIInChI=1S/C12H17NO4S/c1-9-4-5-11(12(14)7-9)13-18(15,16)8-10-3-2-6-17-10/h4-5,7,10,13-14H,2-3,6,8H2,1H3
InChIKeyRTJDQWAHAPXSIK-UHFFFAOYSA-N
XLogP1.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247225
N-(2-acetyl-4-hydroxyphenyl)-1-(oxan-2-yl)methanesulfonamide
CID 122142969
N-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246560
N-(5-cyano-2-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246993
3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247341
N-[4-(2-hydroxyethylsulfonyl)-2-methylphenyl]-1-(oxan-2-yl)methanesulfonamide
CID 102563351
N-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 113238115
N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246840
N-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247176
4-chloro-3-(oxolan-2-ylmethylsulfonylamino)benzoic acid
CID 63246612
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247049
5-methyl-2-(oxolan-2-ylmethylsulfonyl)aniline
CID 81180714

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide (CID 63247039) is N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide is Cc1ccc(NS(=O)(=O)CC2CCCO2)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is RTJDQWAHAPXSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-9-4-5-11(12(14)7-9)13-18(15,16)8-10-3-2-6-17-10/h4-5,7,10,13-14H,2-3,6,8H2,1H3.
What are the key properties of N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 271.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63247039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).