N-ethyl-3-hydroxy-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide

C15H17NO4S — CID 107736872

IUPACN-ethyl-3-hydroxy-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide
SMILESCCN(c1cc(O)ccc1C)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C15H17NO4S/c1-3-16(15-10-13(18)8-7-11(15)2)21(19,20)14-6-4-5-12(17)9-14/h4-10,17-18H,3H2,1-2H3
InChIKeyYHZYYDUNMDZZJR-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.62
Rot. Bonds4

About N-ethyl-3-hydroxy-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide

N-ethyl-3-hydroxy-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide (PubChem CID 107736872) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3-hydroxy-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide
PubChem CID107736872
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC NameN-ethyl-3-hydroxy-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide
SMILESCCN(c1cc(O)ccc1C)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C15H17NO4S/c1-3-16(15-10-13(18)8-7-11(15)2)21(19,20)14-6-4-5-12(17)9-14/h4-10,17-18H,3H2,1-2H3
InChIKeyYHZYYDUNMDZZJR-UHFFFAOYSA-N
XLogP2.62
TPSA77.84 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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(5-hydroxy-2-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 62062287
N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide
CID 46232296
1-cyclopropyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)methanesulfonamide
CID 64987830
N-(2,5-dimethylphenyl)-N-ethylnaphthalene-2-sulfonamide
CID 100530394
N-ethyl-N-(2-methyl-5-nitrophenyl)-4-nitrobenzenesulfonamide
CID 100528608
3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223799
N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide
CID 102995327
3-[ethyl(hydroxy)amino]-4-methylphenol
CID 174961453
N-[4-[(2,5-dimethylphenyl)-ethylsulfamoyl]phenyl]acetamide
CID 94622687
methyl 2-[ethyl-(3-hydroxyphenyl)sulfonylamino]acetate
CID 81258786
3-amino-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733553
4-bromo-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223865

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydroxy-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide?
The IUPAC name of N-ethyl-3-hydroxy-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide (CID 107736872) is N-ethyl-3-hydroxy-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-3-hydroxy-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-3-hydroxy-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide is CCN(c1cc(O)ccc1C)S(=O)(=O)c1cccc(O)c1.
What is the InChIKey of N-ethyl-3-hydroxy-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide?
The InChIKey is YHZYYDUNMDZZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-3-16(15-10-13(18)8-7-11(15)2)21(19,20)14-6-4-5-12(17)9-14/h4-10,17-18H,3H2,1-2H3.
What are the key properties of N-ethyl-3-hydroxy-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide?
N-ethyl-3-hydroxy-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxy-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 107736872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).