N-(4-bromo-2-fluoro-6-hydroxyphenyl)-4-methylbenzenesulfonamide

C13H11BrFNO3S — CID 169370617

IUPACN-(4-bromo-2-fluoro-6-hydroxyphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(O)cc(Br)cc2F)cc1
InChIInChI=1S/C13H11BrFNO3S/c1-8-2-4-10(5-3-8)20(18,19)16-13-11(15)6-9(14)7-12(13)17/h2-7,16-17H,1H3
InChIKeyODEVHDQEPFVVQA-UHFFFAOYSA-N
MW360.20 g/mol
LogP3.40
Rot. Bonds3

About N-(4-bromo-2-fluoro-6-hydroxyphenyl)-4-methylbenzenesulfonamide

N-(4-bromo-2-fluoro-6-hydroxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 169370617) has the molecular formula C13H11BrFNO3S and a molecular weight of 360.20 g/mol. Its IUPAC name is N-(4-bromo-2-fluoro-6-hydroxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluoro-6-hydroxyphenyl)-4-methylbenzenesulfonamide
PubChem CID169370617
Molecular FormulaC13H11BrFNO3S
Molecular Weight360.20 g/mol
Exact Mass358.96
IUPAC NameN-(4-bromo-2-fluoro-6-hydroxyphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(O)cc(Br)cc2F)cc1
InChIInChI=1S/C13H11BrFNO3S/c1-8-2-4-10(5-3-8)20(18,19)16-13-11(15)6-9(14)7-12(13)17/h2-7,16-17H,1H3
InChIKeyODEVHDQEPFVVQA-UHFFFAOYSA-N
XLogP3.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 53.40
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-hydroxy-6-methylphenyl)-4-methylbenzenesulfonamide
CID 169370170
N-(4-bromo-2,6-diiodophenyl)-4-methylbenzenesulfonamide
CID 169370885
N-(3-bromo-5-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 171692220
N-(4-bromo-2,6-difluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 21065087
N-(2,4-dibromo-6-nitrophenyl)-4-methylbenzenesulfonamide
CID 169370091
N-(2-fluoro-6-methyl-4-nitrophenyl)-4-methylbenzenesulfonamide
CID 169371685
N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 61062760
N-[4-bromo-2-nitro-6-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169370176
5-bromo-2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 169373142
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
N-[2,4-dibromo-6-(difluoromethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169371215
N-(2-bromo-3-fluoro-6-methyl-4-nitrophenyl)-4-methylbenzenesulfonamide
CID 169371227

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluoro-6-hydroxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-bromo-2-fluoro-6-hydroxyphenyl)-4-methylbenzenesulfonamide (CID 169370617) is N-(4-bromo-2-fluoro-6-hydroxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-fluoro-6-hydroxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-fluoro-6-hydroxyphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(O)cc(Br)cc2F)cc1.
What is the InChIKey of N-(4-bromo-2-fluoro-6-hydroxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is ODEVHDQEPFVVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO3S/c1-8-2-4-10(5-3-8)20(18,19)16-13-11(15)6-9(14)7-12(13)17/h2-7,16-17H,1H3.
What are the key properties of N-(4-bromo-2-fluoro-6-hydroxyphenyl)-4-methylbenzenesulfonamide?
N-(4-bromo-2-fluoro-6-hydroxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 360.20 g/mol, XLogP of 3.40, 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-fluoro-6-hydroxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169370617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).