3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide

C14H15NO4S — CID 81258864

IUPAC3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(O)c2)cc1
InChIInChI=1S/C14H15NO4S/c1-15(11-6-8-13(19-2)9-7-11)20(17,18)14-5-3-4-12(16)10-14/h3-10,16H,1-2H3
InChIKeyQJVIDYFLLBFOPK-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.23
Rot. Bonds4

About 3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide

3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide (PubChem CID 81258864) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
PubChem CID81258864
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(O)c2)cc1
InChIInChI=1S/C14H15NO4S/c1-15(11-6-8-13(19-2)9-7-11)20(17,18)14-5-3-4-12(16)10-14/h3-10,16H,1-2H3
InChIKeyQJVIDYFLLBFOPK-UHFFFAOYSA-N
XLogP2.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 18098378
3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 81265085
(3-methylphenyl) 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 7901124
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-phenyl-N-prop-2-enylbenzamide
CID 43052353
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide
CID 30600851
N-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylbenzenesulfonamide
CID 2489691
furan-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2683151
N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide
CID 113094889
N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119407187

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide (CID 81258864) is 3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide is COc1ccc(N(C)S(=O)(=O)c2cccc(O)c2)cc1.
What is the InChIKey of 3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide?
The InChIKey is QJVIDYFLLBFOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-15(11-6-8-13(19-2)9-7-11)20(17,18)14-5-3-4-12(16)10-14/h3-10,16H,1-2H3.
What are the key properties of 3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide?
3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide has a molecular weight of 293.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 81258864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).