N-(3-hydroxy-4-methoxyphenyl)-4-propan-2-ylbenzenesulfonamide

C16H19NO4S — CID 8518583

IUPACN-(3-hydroxy-4-methoxyphenyl)-4-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1O
InChIInChI=1S/C16H19NO4S/c1-11(2)12-4-7-14(8-5-12)22(19,20)17-13-6-9-16(21-3)15(18)10-13/h4-11,17-18H,1-3H3
InChIKeyILXFWGJJYGDWAG-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.33
Rot. Bonds5

About N-(3-hydroxy-4-methoxyphenyl)-4-propan-2-ylbenzenesulfonamide

N-(3-hydroxy-4-methoxyphenyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 8518583) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxyphenyl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxyphenyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID8518583
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-(3-hydroxy-4-methoxyphenyl)-4-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1O
InChIInChI=1S/C16H19NO4S/c1-11(2)12-4-7-14(8-5-12)22(19,20)17-13-6-9-16(21-3)15(18)10-13/h4-11,17-18H,1-3H3
InChIKeyILXFWGJJYGDWAG-UHFFFAOYSA-N
XLogP3.33
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 22202165
2-methoxy-5-methylsulfonyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 110300252
N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide
CID 4797328
ethyl 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)sulfamoyl]benzoate
CID 150284750
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
4-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 7574220
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 114840301
N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454822
N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 30156649
methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 26487204
2-methyl-N-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]propanamide
CID 26965637
4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202745

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxyphenyl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxy-4-methoxyphenyl)-4-propan-2-ylbenzenesulfonamide (CID 8518583) is N-(3-hydroxy-4-methoxyphenyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxyphenyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-4-methoxyphenyl)-4-propan-2-ylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1O.
What is the InChIKey of N-(3-hydroxy-4-methoxyphenyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is ILXFWGJJYGDWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-11(2)12-4-7-14(8-5-12)22(19,20)17-13-6-9-16(21-3)15(18)10-13/h4-11,17-18H,1-3H3.
What are the key properties of N-(3-hydroxy-4-methoxyphenyl)-4-propan-2-ylbenzenesulfonamide?
N-(3-hydroxy-4-methoxyphenyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxyphenyl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 8518583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).