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

C13H14BrNO3S2 — CID 106831927

IUPAC5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylthiophene-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(Br)sc2C)c(C)cc1O
InChIInChI=1S/C13H14BrNO3S2/c1-7-5-11(16)8(2)4-10(7)15-20(17,18)12-6-13(14)19-9(12)3/h4-6,15-16H,1-3H3
InChIKeyOWYMTXBDHILEAV-UHFFFAOYSA-N
MW376.30 g/mol
LogP3.94
Rot. Bonds3

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

5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylthiophene-3-sulfonamide (PubChem CID 106831927) has the molecular formula C13H14BrNO3S2 and a molecular weight of 376.30 g/mol. Its IUPAC name is 5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylthiophene-3-sulfonamide
PubChem CID106831927
Molecular FormulaC13H14BrNO3S2
Molecular Weight376.30 g/mol
Exact Mass374.96
IUPAC Name5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylthiophene-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(Br)sc2C)c(C)cc1O
InChIInChI=1S/C13H14BrNO3S2/c1-7-5-11(16)8(2)4-10(7)15-20(17,18)12-6-13(14)19-9(12)3/h4-6,15-16H,1-3H3
InChIKeyOWYMTXBDHILEAV-UHFFFAOYSA-N
XLogP3.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylthiophene-2-sulfonamide
CID 106831901
3-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 104833131
N-(4-hydroxy-2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 106831940
5-bromo-N-(2-bromo-3-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 103816032
5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 106831907
1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene
CID 106954609
5-bromo-N-(3-bromo-5-methylphenyl)-2-methylthiophene-3-sulfonamide
CID 107577586
5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-methylthiophene-3-sulfonamide
CID 82819513
5-bromo-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 104856695
5-bromo-N-(4-bromo-2-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 102671870
5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-3-sulfonamide
CID 115753828
2-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 106831897

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylthiophene-3-sulfonamide (CID 106831927) is 5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylthiophene-3-sulfonamide is Cc1cc(NS(=O)(=O)c2cc(Br)sc2C)c(C)cc1O.
What is the InChIKey of 5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylthiophene-3-sulfonamide?
The InChIKey is OWYMTXBDHILEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO3S2/c1-7-5-11(16)8(2)4-10(7)15-20(17,18)12-6-13(14)19-9(12)3/h4-6,15-16H,1-3H3.
What are the key properties of 5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylthiophene-3-sulfonamide?
5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylthiophene-3-sulfonamide has a molecular weight of 376.30 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106831927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).