N-(4-bromo-2-hydroxy-6-methylphenyl)-4-methylbenzenesulfonamide

C14H14BrNO3S — CID 169370170

IUPACN-(4-bromo-2-hydroxy-6-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)cc(Br)cc2O)cc1
InChIInChI=1S/C14H14BrNO3S/c1-9-3-5-12(6-4-9)20(18,19)16-14-10(2)7-11(15)8-13(14)17/h3-8,16-17H,1-2H3
InChIKeyRXUGYNKDRSHQHZ-UHFFFAOYSA-N
MW356.24 g/mol
LogP3.57
Rot. Bonds3

About N-(4-bromo-2-hydroxy-6-methylphenyl)-4-methylbenzenesulfonamide

N-(4-bromo-2-hydroxy-6-methylphenyl)-4-methylbenzenesulfonamide (PubChem CID 169370170) has the molecular formula C14H14BrNO3S and a molecular weight of 356.24 g/mol. Its IUPAC name is N-(4-bromo-2-hydroxy-6-methylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-hydroxy-6-methylphenyl)-4-methylbenzenesulfonamide
PubChem CID169370170
Molecular FormulaC14H14BrNO3S
Molecular Weight356.24 g/mol
Exact Mass354.99
IUPAC NameN-(4-bromo-2-hydroxy-6-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)cc(Br)cc2O)cc1
InChIInChI=1S/C14H14BrNO3S/c1-9-3-5-12(6-4-9)20(18,19)16-14-10(2)7-11(15)8-13(14)17/h3-8,16-17H,1-2H3
InChIKeyRXUGYNKDRSHQHZ-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

N-(4-bromo-2-fluoro-6-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 169370617
N-(4-bromo-2,6-diiodophenyl)-4-methylbenzenesulfonamide
CID 169370885
N-(3-bromo-5-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 171692220
N-(4-amino-2-bromo-6-methylphenyl)-4-methylbenzenesulfonamide
CID 100828238
N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 3707441
N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 61062760
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
N-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 11001969
N-[3-(benzenesulfonyl)-4-hydroxy-2,6-dimethylphenyl]-4-methylbenzenesulfonamide
CID 4277959
N-(2,4-dibromo-6-nitrophenyl)-4-methylbenzenesulfonamide
CID 169370091
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
4-bromo-N-(2-hydroxy-3,5-dimethylphenyl)benzenesulfonamide
CID 3689822

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-hydroxy-6-methylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-bromo-2-hydroxy-6-methylphenyl)-4-methylbenzenesulfonamide (CID 169370170) is N-(4-bromo-2-hydroxy-6-methylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-hydroxy-6-methylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-hydroxy-6-methylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(C)cc(Br)cc2O)cc1.
What is the InChIKey of N-(4-bromo-2-hydroxy-6-methylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is RXUGYNKDRSHQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S/c1-9-3-5-12(6-4-9)20(18,19)16-14-10(2)7-11(15)8-13(14)17/h3-8,16-17H,1-2H3.
What are the key properties of N-(4-bromo-2-hydroxy-6-methylphenyl)-4-methylbenzenesulfonamide?
N-(4-bromo-2-hydroxy-6-methylphenyl)-4-methylbenzenesulfonamide 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 N-(4-bromo-2-hydroxy-6-methylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169370170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).