N-benzyl-3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide

C25H18BrClFNO3S — CID 146545789

IUPACN-benzyl-3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(c1cc(Cl)cc(Br)c1O)N(Cc1ccccc1)c1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C25H18BrClFNO3S/c26-21-14-20(27)15-24(25(21)30)33(31,32)29(16-17-7-3-1-4-8-17)23-13-19(11-12-22(23)28)18-9-5-2-6-10-18/h1-15,30H,16H2
InChIKeyQXGJZDNNCPVOSK-UHFFFAOYSA-N
MW546.85 g/mol
LogP7.01
Rot. Bonds6

About N-benzyl-3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide

N-benzyl-3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide (PubChem CID 146545789) has the molecular formula C25H18BrClFNO3S and a molecular weight of 546.85 g/mol. Its IUPAC name is N-benzyl-3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
PubChem CID146545789
Molecular FormulaC25H18BrClFNO3S
Molecular Weight546.85 g/mol
Exact Mass544.99
IUPAC NameN-benzyl-3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(c1cc(Cl)cc(Br)c1O)N(Cc1ccccc1)c1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C25H18BrClFNO3S/c26-21-14-20(27)15-24(25(21)30)33(31,32)29(16-17-7-3-1-4-8-17)23-13-19(11-12-22(23)28)18-9-5-2-6-10-18/h1-15,30H,16H2
InChIKeyQXGJZDNNCPVOSK-UHFFFAOYSA-N
XLogP7.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.85
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide 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

3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545732
3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-N-methylbenzenesulfonamide
CID 146546031
N-benzyl-3-bromo-5-chloro-N-[2-fluoro-5-(3-methylphenyl)phenyl]-2-hydroxybenzenesulfonamide
CID 146600736
N-benzyl-3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146601019
3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-N-prop-2-enylbenzenesulfonamide
CID 146601700
N-benzyl-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-5-methyl-3-(methylidene-lambda3-bromanyl)benzenesulfonamide
CID 153584061
N-benzyl-3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-(2-oxopropoxy)benzenesulfonamide
CID 158788342
4-Bromo-2-chloro-6-[(6-phenyl-2,3-dihydroindol-1-yl)sulfonyl]phenol
CID 146565138
3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide;ethane
CID 153583940
N-(2-amino-4-phenylphenyl)-5-chloro-2-hydroxy-3-(methylidene-lambda3-bromanyl)benzenesulfonamide
CID 153584323
3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-N-methylbenzenesulfonamide;3-bromo-5-chloro-2-hydroxybenzenesulfonyl chloride;2-ethyl-1-fluoro-4-phenylbenzene;2-fluoro-5-phenylaniline;iodomethane
CID 162182419

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The IUPAC name of N-benzyl-3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide (CID 146545789) is N-benzyl-3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The canonical SMILES for N-benzyl-3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide is O=S(=O)(c1cc(Cl)cc(Br)c1O)N(Cc1ccccc1)c1cc(-c2ccccc2)ccc1F.
What is the InChIKey of N-benzyl-3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The InChIKey is QXGJZDNNCPVOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrClFNO3S/c26-21-14-20(27)15-24(25(21)30)33(31,32)29(16-17-7-3-1-4-8-17)23-13-19(11-12-22(23)28)18-9-5-2-6-10-18/h1-15,30H,16H2.
What are the key properties of N-benzyl-3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
N-benzyl-3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide has a molecular weight of 546.85 g/mol, XLogP of 7.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 146545789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).