N-(4-hydroxyphenyl)-N-methyl-2-methylsulfonylethanesulfonamide

C10H15NO5S2 — CID 55175048

IUPACN-(4-hydroxyphenyl)-N-methyl-2-methylsulfonylethanesulfonamide
SMILESCN(c1ccc(O)cc1)S(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H15NO5S2/c1-11(9-3-5-10(12)6-4-9)18(15,16)8-7-17(2,13)14/h3-6,12H,7-8H2,1-2H3
InChIKeyXYVYIRWHUJMTCW-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.20
Rot. Bonds5

About N-(4-hydroxyphenyl)-N-methyl-2-methylsulfonylethanesulfonamide

N-(4-hydroxyphenyl)-N-methyl-2-methylsulfonylethanesulfonamide (PubChem CID 55175048) has the molecular formula C10H15NO5S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-N-methyl-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-N-methyl-2-methylsulfonylethanesulfonamide
PubChem CID55175048
Molecular FormulaC10H15NO5S2
Molecular Weight293.37 g/mol
Exact Mass293.04
IUPAC NameN-(4-hydroxyphenyl)-N-methyl-2-methylsulfonylethanesulfonamide
SMILESCN(c1ccc(O)cc1)S(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H15NO5S2/c1-11(9-3-5-10(12)6-4-9)18(15,16)8-7-17(2,13)14/h3-6,12H,7-8H2,1-2H3
InChIKeyXYVYIRWHUJMTCW-UHFFFAOYSA-N
XLogP0.20
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-N-methyl-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-(4-hydroxyphenyl)-N-methyl-2-methylsulfonylethanesulfonamide (CID 55175048) is N-(4-hydroxyphenyl)-N-methyl-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-N-methyl-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-(4-hydroxyphenyl)-N-methyl-2-methylsulfonylethanesulfonamide is CN(c1ccc(O)cc1)S(=O)(=O)CCS(C)(=O)=O.
What is the InChIKey of N-(4-hydroxyphenyl)-N-methyl-2-methylsulfonylethanesulfonamide?
The InChIKey is XYVYIRWHUJMTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S2/c1-11(9-3-5-10(12)6-4-9)18(15,16)8-7-17(2,13)14/h3-6,12H,7-8H2,1-2H3.
What are the key properties of N-(4-hydroxyphenyl)-N-methyl-2-methylsulfonylethanesulfonamide?
N-(4-hydroxyphenyl)-N-methyl-2-methylsulfonylethanesulfonamide has a molecular weight of 293.37 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-N-methyl-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 55175048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).