4-bromo-N-(2-hydroxy-3,5-dimethylphenyl)benzenesulfonamide

C14H14BrNO3S — CID 3689822

IUPAC4-bromo-N-(2-hydroxy-3,5-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(C)c(O)c(NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C14H14BrNO3S/c1-9-7-10(2)14(17)13(8-9)16-20(18,19)12-5-3-11(15)4-6-12/h3-8,16-17H,1-2H3
InChIKeyRMLJBKIKRXMGEH-UHFFFAOYSA-N
MW356.24 g/mol
LogP3.57
Rot. Bonds3

About 4-bromo-N-(2-hydroxy-3,5-dimethylphenyl)benzenesulfonamide

4-bromo-N-(2-hydroxy-3,5-dimethylphenyl)benzenesulfonamide (PubChem CID 3689822) has the molecular formula C14H14BrNO3S and a molecular weight of 356.24 g/mol. Its IUPAC name is 4-bromo-N-(2-hydroxy-3,5-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-hydroxy-3,5-dimethylphenyl)benzenesulfonamide
PubChem CID3689822
Molecular FormulaC14H14BrNO3S
Molecular Weight356.24 g/mol
Exact Mass354.99
IUPAC Name4-bromo-N-(2-hydroxy-3,5-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(C)c(O)c(NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C14H14BrNO3S/c1-9-7-10(2)14(17)13(8-9)16-20(18,19)12-5-3-11(15)4-6-12/h3-8,16-17H,1-2H3
InChIKeyRMLJBKIKRXMGEH-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-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide
CID 1312782
4-[(4-bromophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 1333820
N-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide
CID 62099632
1-(4-bromophenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiourea
CID 19678818
4-bromo-N-(5-methyl-2-nitrophenyl)benzenesulfonamide
CID 115912716
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 104724305
N-(4-bromo-2-hydroxy-6-methylphenyl)-4-methylbenzenesulfonamide
CID 169370170
4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide
CID 60640730
N-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide
CID 22774646
N-(5-bromo-2-ethylphenyl)-4-methylbenzenesulfonamide
CID 169372007
4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 25035913

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-hydroxy-3,5-dimethylphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-hydroxy-3,5-dimethylphenyl)benzenesulfonamide (CID 3689822) is 4-bromo-N-(2-hydroxy-3,5-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-hydroxy-3,5-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-hydroxy-3,5-dimethylphenyl)benzenesulfonamide is Cc1cc(C)c(O)c(NS(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 4-bromo-N-(2-hydroxy-3,5-dimethylphenyl)benzenesulfonamide?
The InChIKey is RMLJBKIKRXMGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S/c1-9-7-10(2)14(17)13(8-9)16-20(18,19)12-5-3-11(15)4-6-12/h3-8,16-17H,1-2H3.
What are the key properties of 4-bromo-N-(2-hydroxy-3,5-dimethylphenyl)benzenesulfonamide?
4-bromo-N-(2-hydroxy-3,5-dimethylphenyl)benzenesulfonamide 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-hydroxy-3,5-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 3689822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).