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

C14H14BrNO3S — CID 163343274

IUPAC4-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2O)c(C)cc1Br
InChIInChI=1S/C14H14BrNO3S/c1-9-8-14(10(2)7-11(9)15)20(18,19)16-12-5-3-4-6-13(12)17/h3-8,16-17H,1-2H3
InChIKeyODIFRZHIEAWCLG-UHFFFAOYSA-N
MW356.24 g/mol
LogP3.57
Rot. Bonds3

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

4-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 163343274) has the molecular formula C14H14BrNO3S and a molecular weight of 356.24 g/mol. Its IUPAC name is 4-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID163343274
Molecular FormulaC14H14BrNO3S
Molecular Weight356.24 g/mol
Exact Mass354.99
IUPAC Name4-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2O)c(C)cc1Br
InChIInChI=1S/C14H14BrNO3S/c1-9-8-14(10(2)7-11(9)15)20(18,19)16-12-5-3-4-6-13(12)17/h3-8,16-17H,1-2H3
InChIKeyODIFRZHIEAWCLG-UHFFFAOYSA-N
XLogP3.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
CID 166373629
4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 146095930
N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327386
N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100729224
2-bromo-4,5-dimethyl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 146147461
3,5-dibromo-N-(2-hydroxyphenyl)benzenesulfonamide
CID 70636800
2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide
CID 82746274
N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide
CID 104814633
2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide
CID 81427284
2,5-diethoxy-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 39845568
2-hydroxy-5-[[2-(methanesulfonamido)phenyl]sulfamoyl]-4-methylbenzoic acid
CID 55676420
4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 165435692

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide (CID 163343274) is 4-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccccc2O)c(C)cc1Br.
What is the InChIKey of 4-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is ODIFRZHIEAWCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S/c1-9-8-14(10(2)7-11(9)15)20(18,19)16-12-5-3-4-6-13(12)17/h3-8,16-17H,1-2H3.
What are the key properties of 4-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide?
4-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 356.24 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 163343274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).