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

C15H17NO3S — CID 697331

IUPACN-(4-hydroxyphenyl)-2,4,5-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2)cc1C
InChIInChI=1S/C15H17NO3S/c1-10-8-12(3)15(9-11(10)2)20(18,19)16-13-4-6-14(17)7-5-13/h4-9,16-17H,1-3H3
InChIKeyATOHBNFBJYMXJG-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.12
Rot. Bonds3

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

N-(4-hydroxyphenyl)-2,4,5-trimethylbenzenesulfonamide (PubChem CID 697331) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2,4,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2,4,5-trimethylbenzenesulfonamide
PubChem CID697331
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-(4-hydroxyphenyl)-2,4,5-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2)cc1C
InChIInChI=1S/C15H17NO3S/c1-10-8-12(3)15(9-11(10)2)20(18,19)16-13-4-6-14(17)7-5-13/h4-9,16-17H,1-3H3
InChIKeyATOHBNFBJYMXJG-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

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)-2,4,6-trimethylbenzenesulfonamide
CID 754032
N-(4-hydroxynaphthalen-1-yl)-2,4-dimethylbenzenesulfonamide
CID 746288
N-(4-hydroxynaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide
CID 746362
N-(4-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 846970
N-(4-hydroxy-3,5-dimethylphenyl)benzenesulfonamide
CID 674493
N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide
CID 747919
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]-2,4,5-trimethylbenzene-1-sulfonamide
CID 1308751
N-(4-hydroxy-5-isopropyl-2-methylphenyl)-4-methylbenzenesulfonamide
CID 747928
N-(4-ethoxyphenyl)-2,4,5-trimethylbenzenesulfonamide
CID 754043
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

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2,4,5-trimethylbenzenesulfonamide?
The IUPAC name of N-(4-hydroxyphenyl)-2,4,5-trimethylbenzenesulfonamide (CID 697331) is N-(4-hydroxyphenyl)-2,4,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2,4,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2,4,5-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2)cc1C.
What is the InChIKey of N-(4-hydroxyphenyl)-2,4,5-trimethylbenzenesulfonamide?
The InChIKey is ATOHBNFBJYMXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-10-8-12(3)15(9-11(10)2)20(18,19)16-13-4-6-14(17)7-5-13/h4-9,16-17H,1-3H3.
What are the key properties of N-(4-hydroxyphenyl)-2,4,5-trimethylbenzenesulfonamide?
N-(4-hydroxyphenyl)-2,4,5-trimethylbenzenesulfonamide 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-(4-hydroxyphenyl)-2,4,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 697331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).