N-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide

C15H17NO4S — CID 146672107

IUPACN-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccc(O)cc2)c(C)cc1C
InChIInChI=1S/C15H17NO4S/c1-10-8-11(2)15(9-14(10)20-3)21(18,19)16-12-4-6-13(17)7-5-12/h4-9,16-17H,1-3H3
InChIKeyWTVDGQVLNYXEHI-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.82
Rot. Bonds4

About N-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide

N-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide (PubChem CID 146672107) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
PubChem CID146672107
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC NameN-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccc(O)cc2)c(C)cc1C
InChIInChI=1S/C15H17NO4S/c1-10-8-11(2)15(9-14(10)20-3)21(18,19)16-12-4-6-13(17)7-5-12/h4-9,16-17H,1-3H3
InChIKeyWTVDGQVLNYXEHI-UHFFFAOYSA-N
XLogP2.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzoate
CID 2236611
N-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 146076584
2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25046641
4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide
CID 112981124
4-methoxy-2,5-dimethyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
CID 110724977
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100528166
N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 18566802
2,4,5-trimethyl-N-phenylbenzenesulfonamide
CID 35725783
N-[(2S)-2-hydroxypropyl]-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 39730608
N-(1,3-benzoxazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 110728948
N-[2-fluoro-5-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide
CID 87026681
2-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzamide
CID 91824586

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide (CID 146672107) is N-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide is COc1cc(S(=O)(=O)Nc2ccc(O)cc2)c(C)cc1C.
What is the InChIKey of N-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide?
The InChIKey is WTVDGQVLNYXEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-10-8-11(2)15(9-14(10)20-3)21(18,19)16-12-4-6-13(17)7-5-12/h4-9,16-17H,1-3H3.
What are the key properties of N-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide?
N-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 146672107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).