2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide

C13H11Br2NO3S — CID 64794052

IUPAC2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)cc1O
InChIInChI=1S/C13H11Br2NO3S/c1-8-2-4-10(7-12(8)17)16-20(18,19)13-6-9(14)3-5-11(13)15/h2-7,16-17H,1H3
InChIKeyKZEXUWSRDXRMRB-UHFFFAOYSA-N
MW421.11 g/mol
LogP4.03
Rot. Bonds3

About 2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide

2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide (PubChem CID 64794052) has the molecular formula C13H11Br2NO3S and a molecular weight of 421.11 g/mol. Its IUPAC name is 2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
PubChem CID64794052
Molecular FormulaC13H11Br2NO3S
Molecular Weight421.11 g/mol
Exact Mass418.88
IUPAC Name2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)cc1O
InChIInChI=1S/C13H11Br2NO3S/c1-8-2-4-10(7-12(8)17)16-20(18,19)13-6-9(14)3-5-11(13)15/h2-7,16-17H,1H3
InChIKeyKZEXUWSRDXRMRB-UHFFFAOYSA-N
XLogP4.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.11
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794050
2,5-dibromo-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 64781653
4-bromo-2-fluoro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide
CID 116527675
2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 63421623
5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3818227
5-bromo-N-(3-hydroxy-4-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79934527
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
N-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide
CID 43551086
N-[3-[(2,5-dibromophenyl)sulfonylamino]phenyl]acetamide
CID 26952572
5-bromo-N-(3-hydroxy-4-methylphenyl)pyridine-3-sulfonamide
CID 64794054
N-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide
CID 28941729
2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 7303996

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide (CID 64794052) is 2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)cc1O.
What is the InChIKey of 2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The InChIKey is KZEXUWSRDXRMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO3S/c1-8-2-4-10(7-12(8)17)16-20(18,19)13-6-9(14)3-5-11(13)15/h2-7,16-17H,1H3.
What are the key properties of 2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide has a molecular weight of 421.11 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 64794052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).