5-bromo-3-chloro-2-hydroxy-N-[3-methylsulfonyl-5-(trifluoromethoxy)phenyl]benzenesulfonamide

C14H10BrClF3NO6S2 — CID 155598101

IUPAC5-bromo-3-chloro-2-hydroxy-N-[3-methylsulfonyl-5-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)c1cc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)cc(OC(F)(F)F)c1
InChIInChI=1S/C14H10BrClF3NO6S2/c1-27(22,23)10-5-8(4-9(6-10)26-14(17,18)19)20-28(24,25)12-3-7(15)2-11(16)13(12)21/h2-6,20-21H,1H3
InChIKeyYGVQJPSMALVKPC-UHFFFAOYSA-N
MW524.72 g/mol
LogP3.91
Rot. Bonds5

About 5-bromo-3-chloro-2-hydroxy-N-[3-methylsulfonyl-5-(trifluoromethoxy)phenyl]benzenesulfonamide

5-bromo-3-chloro-2-hydroxy-N-[3-methylsulfonyl-5-(trifluoromethoxy)phenyl]benzenesulfonamide (PubChem CID 155598101) has the molecular formula C14H10BrClF3NO6S2 and a molecular weight of 524.72 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-hydroxy-N-[3-methylsulfonyl-5-(trifluoromethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-3-chloro-2-hydroxy-N-[3-methylsulfonyl-5-(trifluoromethoxy)phenyl]benzenesulfonamide
PubChem CID155598101
Molecular FormulaC14H10BrClF3NO6S2
Molecular Weight524.72 g/mol
Exact Mass522.88
IUPAC Name5-bromo-3-chloro-2-hydroxy-N-[3-methylsulfonyl-5-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)c1cc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)cc(OC(F)(F)F)c1
InChIInChI=1S/C14H10BrClF3NO6S2/c1-27(22,23)10-5-8(4-9(6-10)26-14(17,18)19)20-28(24,25)12-3-7(15)2-11(16)13(12)21/h2-6,20-21H,1H3
InChIKeyYGVQJPSMALVKPC-UHFFFAOYSA-N
XLogP3.91
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.72
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

Analyze 5-bromo-3-chloro-2-hydroxy-N-[3-methylsulfonyl-5-(trifluoromethoxy)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-hydroxy-N-(3-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 155598050
3-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-5-(trifluoromethoxy)benzoic acid
CID 155534418
5-bromo-3-tert-butyl-N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxybenzenesulfonamide
CID 11641791
2,4,5-trichloro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 22203302
N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 24662483
4-bromo-N-(3,5-dimethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3740454
4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide
CID 116527677
4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide
CID 7939100
2,4-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 107681665
3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 60531938
5-bromo-3-chloro-2-hydroxy-N-(2-iodophenyl)benzenesulfonamide
CID 146619015
N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 82880647

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-hydroxy-N-[3-methylsulfonyl-5-(trifluoromethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 5-bromo-3-chloro-2-hydroxy-N-[3-methylsulfonyl-5-(trifluoromethoxy)phenyl]benzenesulfonamide (CID 155598101) is 5-bromo-3-chloro-2-hydroxy-N-[3-methylsulfonyl-5-(trifluoromethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-3-chloro-2-hydroxy-N-[3-methylsulfonyl-5-(trifluoromethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-3-chloro-2-hydroxy-N-[3-methylsulfonyl-5-(trifluoromethoxy)phenyl]benzenesulfonamide is CS(=O)(=O)c1cc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)cc(OC(F)(F)F)c1.
What is the InChIKey of 5-bromo-3-chloro-2-hydroxy-N-[3-methylsulfonyl-5-(trifluoromethoxy)phenyl]benzenesulfonamide?
The InChIKey is YGVQJPSMALVKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF3NO6S2/c1-27(22,23)10-5-8(4-9(6-10)26-14(17,18)19)20-28(24,25)12-3-7(15)2-11(16)13(12)21/h2-6,20-21H,1H3.
What are the key properties of 5-bromo-3-chloro-2-hydroxy-N-[3-methylsulfonyl-5-(trifluoromethoxy)phenyl]benzenesulfonamide?
5-bromo-3-chloro-2-hydroxy-N-[3-methylsulfonyl-5-(trifluoromethoxy)phenyl]benzenesulfonamide has a molecular weight of 524.72 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-hydroxy-N-[3-methylsulfonyl-5-(trifluoromethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 155598101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).