N-(2-hydroxyphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide

C14H15NO5S2 — CID 142643377

IUPACN-(2-hydroxyphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide
SMILESCN(c1ccccc1O)S(=O)(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H15NO5S2/c1-15(11-7-3-4-8-12(11)16)22(19,20)14-10-6-5-9-13(14)21(2,17)18/h3-10,16H,1-2H3
InChIKeyGLXVPJYHWOLAJJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.62
Rot. Bonds4

About N-(2-hydroxyphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide

N-(2-hydroxyphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide (PubChem CID 142643377) has the molecular formula C14H15NO5S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide
PubChem CID142643377
Molecular FormulaC14H15NO5S2
Molecular Weight341.41 g/mol
Exact Mass341.04
IUPAC NameN-(2-hydroxyphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide
SMILESCN(c1ccccc1O)S(=O)(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H15NO5S2/c1-15(11-7-3-4-8-12(11)16)22(19,20)14-10-6-5-9-13(14)21(2,17)18/h3-10,16H,1-2H3
InChIKeyGLXVPJYHWOLAJJ-UHFFFAOYSA-N
XLogP1.62
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxyphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide (CID 142643377) is N-(2-hydroxyphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxyphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide is CN(c1ccccc1O)S(=O)(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of N-(2-hydroxyphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide?
The InChIKey is GLXVPJYHWOLAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S2/c1-15(11-7-3-4-8-12(11)16)22(19,20)14-10-6-5-9-13(14)21(2,17)18/h3-10,16H,1-2H3.
What are the key properties of N-(2-hydroxyphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide?
N-(2-hydroxyphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide has a molecular weight of 341.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 142643377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).