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

C14H15NO3S — CID 846970

IUPACN-(4-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(O)cc2)c1
InChIInChI=1S/C14H15NO3S/c1-10-3-4-11(2)14(9-10)19(17,18)15-12-5-7-13(16)8-6-12/h3-9,15-16H,1-2H3
InChIKeyBJJDBOGTFMSPSR-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.81
Rot. Bonds3

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

N-(4-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 846970) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID846970
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC NameN-(4-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(O)cc2)c1
InChIInChI=1S/C14H15NO3S/c1-10-3-4-11(2)14(9-10)19(17,18)15-12-5-7-13(16)8-6-12/h3-9,15-16H,1-2H3
InChIKeyBJJDBOGTFMSPSR-UHFFFAOYSA-N
XLogP2.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-(4-Hydroxyphenyl)benzenesulfonamide
CID 79622
N-(4-hydroxyphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 754032
N-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 2442232
N-(4-hydroxy-3,5-dimethylphenyl)benzenesulfonamide
CID 674493
N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide
CID 747919
N-(4-hydroxyphenyl)-2,4,5-trimethylbenzenesulfonamide
CID 697331
4-methyl-N-[4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]phenyl]benzenesulfonamide
CID 4108494
N-(4-hydroxyphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 1099250
N-(4-hydroxy-2,5-dimethylphenyl)-4-methylbenzenesulfonamide
CID 702202
4-tert-butyl-N-(4-hydroxyphenyl)benzenesulfonamide
CID 846945
Benzene sulfonamide derivative 8
CID 894213
N-(4-Hydroxyphenyl)-p-toluenesulfonamide
CID 70845

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide (CID 846970) is N-(4-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(O)cc2)c1.
What is the InChIKey of N-(4-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is BJJDBOGTFMSPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-10-3-4-11(2)14(9-10)19(17,18)15-12-5-7-13(16)8-6-12/h3-9,15-16H,1-2H3.
What are the key properties of N-(4-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide?
N-(4-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 846970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).