N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide

C15H17NO3S — CID 64794059

IUPACN-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)c(O)c2)cc1C
InChIInChI=1S/C15H17NO3S/c1-10-5-7-14(8-12(10)3)20(18,19)16-13-6-4-11(2)15(17)9-13/h4-9,16-17H,1-3H3
InChIKeyJFSGFIMKJSBBQB-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.12
Rot. Bonds3

About N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide

N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 64794059) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
PubChem CID64794059
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)c(O)c2)cc1C
InChIInChI=1S/C15H17NO3S/c1-10-5-7-14(8-12(10)3)20(18,19)16-13-6-4-11(2)15(17)9-13/h4-9,16-17H,1-3H3
InChIKeyJFSGFIMKJSBBQB-UHFFFAOYSA-N
XLogP3.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-hydroxy-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699434
4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699512
N-(3-hydroxy-4-methylphenyl)-3-nitrobenzenesulfonamide
CID 64794397
3-fluoro-N-(3-hydroxy-4-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 67557776
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
3,4-dimethyl-N-(4-methyl-3-nitrophenyl)benzenesulfonamide
CID 22775051
4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide
CID 46555814
dimethyl 5-[(3,4-dimethylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22774942
5-bromo-N-(3-hydroxy-4-methylphenyl)pyridine-3-sulfonamide
CID 64794054
N-(2-hydroxy-5-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 60918497
N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide (CID 64794059) is N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C)c(O)c2)cc1C.
What is the InChIKey of N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is JFSGFIMKJSBBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-10-5-7-14(8-12(10)3)20(18,19)16-13-6-4-11(2)15(17)9-13/h4-9,16-17H,1-3H3.
What are the key properties of N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide?
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 64794059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).