N-(2-hydroxy-6-methylphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide

C15H17NO5S2 — CID 57007938

IUPACN-(2-hydroxy-6-methylphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide
SMILESCc1cccc(O)c1N(C)S(=O)(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C15H17NO5S2/c1-11-7-6-8-12(17)15(11)16(2)23(20,21)14-10-5-4-9-13(14)22(3,18)19/h4-10,17H,1-3H3
InChIKeyLZZLLYHBXDBISQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.93
Rot. Bonds4

About N-(2-hydroxy-6-methylphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide

N-(2-hydroxy-6-methylphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide (PubChem CID 57007938) has the molecular formula C15H17NO5S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(2-hydroxy-6-methylphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-methylphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide
PubChem CID57007938
Molecular FormulaC15H17NO5S2
Molecular Weight355.44 g/mol
Exact Mass355.05
IUPAC NameN-(2-hydroxy-6-methylphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide
SMILESCc1cccc(O)c1N(C)S(=O)(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C15H17NO5S2/c1-11-7-6-8-12(17)15(11)16(2)23(20,21)14-10-5-4-9-13(14)22(3,18)19/h4-10,17H,1-3H3
InChIKeyLZZLLYHBXDBISQ-UHFFFAOYSA-N
XLogP1.93
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-6-methylphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-6-methylphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide (CID 57007938) is N-(2-hydroxy-6-methylphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-6-methylphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-6-methylphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide is Cc1cccc(O)c1N(C)S(=O)(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of N-(2-hydroxy-6-methylphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide?
The InChIKey is LZZLLYHBXDBISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5S2/c1-11-7-6-8-12(17)15(11)16(2)23(20,21)14-10-5-4-9-13(14)22(3,18)19/h4-10,17H,1-3H3.
What are the key properties of N-(2-hydroxy-6-methylphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide?
N-(2-hydroxy-6-methylphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide has a molecular weight of 355.44 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-6-methylphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 57007938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).