5-bromo-2-hydroxy-N-(3-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide

C14H11BrF3NO6S2 — CID 155598050

IUPAC5-bromo-2-hydroxy-N-(3-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
SMILESCS(=O)(=O)c1cccc(NS(=O)(=O)c2cc(Br)cc(OC(F)(F)F)c2O)c1
InChIInChI=1S/C14H11BrF3NO6S2/c1-26(21,22)10-4-2-3-9(7-10)19-27(23,24)12-6-8(15)5-11(13(12)20)25-14(16,17)18/h2-7,19-20H,1H3
InChIKeyLQCDXOZHSSDGTP-UHFFFAOYSA-N
MW490.28 g/mol
LogP3.26
Rot. Bonds5

About 5-bromo-2-hydroxy-N-(3-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide

5-bromo-2-hydroxy-N-(3-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 155598050) has the molecular formula C14H11BrF3NO6S2 and a molecular weight of 490.28 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-(3-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-(3-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID155598050
Molecular FormulaC14H11BrF3NO6S2
Molecular Weight490.28 g/mol
Exact Mass488.92
IUPAC Name5-bromo-2-hydroxy-N-(3-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
SMILESCS(=O)(=O)c1cccc(NS(=O)(=O)c2cc(Br)cc(OC(F)(F)F)c2O)c1
InChIInChI=1S/C14H11BrF3NO6S2/c1-26(21,22)10-4-2-3-9(7-10)19-27(23,24)12-6-8(15)5-11(13(12)20)25-14(16,17)18/h2-7,19-20H,1H3
InChIKeyLQCDXOZHSSDGTP-UHFFFAOYSA-N
XLogP3.26
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.28
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-3-chloro-2-hydroxy-N-[3-methylsulfonyl-5-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 155598101
N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 8842839
4-bromo-2-[(3-chloro-5-methylsulfonylphenyl)methylsulfonyl]-6-(trifluoromethoxy)phenol
CID 167547681
N-(3-piperidin-1-ylsulfonylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31064984
N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 60534149
N-(4-acetylphenyl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide
CID 20815752
5-methylsulfonyl-2-(trifluoromethoxy)phenol
CID 168964303
N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 24662483
1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea
CID 25348337
4-bromo-N-(3,5-dimethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3740454
4-bromo-N-(4-butanoylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 5220861
5-bromo-3-tert-butyl-N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxybenzenesulfonamide
CID 11641791

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-(3-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 5-bromo-2-hydroxy-N-(3-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide (CID 155598050) is 5-bromo-2-hydroxy-N-(3-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-(3-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-(3-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide is CS(=O)(=O)c1cccc(NS(=O)(=O)c2cc(Br)cc(OC(F)(F)F)c2O)c1.
What is the InChIKey of 5-bromo-2-hydroxy-N-(3-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is LQCDXOZHSSDGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO6S2/c1-26(21,22)10-4-2-3-9(7-10)19-27(23,24)12-6-8(15)5-11(13(12)20)25-14(16,17)18/h2-7,19-20H,1H3.
What are the key properties of 5-bromo-2-hydroxy-N-(3-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide?
5-bromo-2-hydroxy-N-(3-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 490.28 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-(3-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 155598050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).