N-(4-hydroxy-2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide

C16H19NO3S — CID 106831940

IUPACN-(4-hydroxy-2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cc(C)c(O)cc2C)c1
InChIInChI=1S/C16H19NO3S/c1-10-5-6-11(2)16(7-10)21(19,20)17-14-8-13(4)15(18)9-12(14)3/h5-9,17-18H,1-4H3
InChIKeyOLOYZDPXEOKTPI-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.43
Rot. Bonds3

About N-(4-hydroxy-2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide

N-(4-hydroxy-2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 106831940) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(4-hydroxy-2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID106831940
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-(4-hydroxy-2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cc(C)c(O)cc2C)c1
InChIInChI=1S/C16H19NO3S/c1-10-5-6-11(2)16(7-10)21(19,20)17-14-8-13(4)15(18)9-12(14)3/h5-9,17-18H,1-4H3
InChIKeyOLOYZDPXEOKTPI-UHFFFAOYSA-N
XLogP3.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.43
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

5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 106831907
N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
2-hydroxy-N-[5-(hydroxymethyl)-2-methylphenyl]-5-methylbenzenesulfonamide
CID 56794472
1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene
CID 106954609
5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylthiophene-3-sulfonamide
CID 106831927
N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 8504690
2,5-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774539
4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 146095930
N-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-fluorophenyl]acetamide
CID 113093007
1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea
CID 134090359
N-(2-hydroxy-5-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 60918497
1,3-bis[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 170548873

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide (CID 106831940) is N-(4-hydroxy-2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-hydroxy-2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-hydroxy-2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2cc(C)c(O)cc2C)c1.
What is the InChIKey of N-(4-hydroxy-2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is OLOYZDPXEOKTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-10-5-6-11(2)16(7-10)21(19,20)17-14-8-13(4)15(18)9-12(14)3/h5-9,17-18H,1-4H3.
What are the key properties of N-(4-hydroxy-2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide?
N-(4-hydroxy-2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 106831940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).