4-bromo-N-[2-(3-methoxyphenyl)phenyl]benzenesulfonamide

C19H16BrNO3S — CID 135086781

IUPAC4-bromo-N-[2-(3-methoxyphenyl)phenyl]benzenesulfonamide
SMILESCOc1cccc(-c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C19H16BrNO3S/c1-24-16-6-4-5-14(13-16)18-7-2-3-8-19(18)21-25(22,23)17-11-9-15(20)10-12-17/h2-13,21H,1H3
InChIKeyRFJFQYVYJLWBIH-UHFFFAOYSA-N
MW418.31 g/mol
LogP4.93
Rot. Bonds5

About 4-bromo-N-[2-(3-methoxyphenyl)phenyl]benzenesulfonamide

4-bromo-N-[2-(3-methoxyphenyl)phenyl]benzenesulfonamide (PubChem CID 135086781) has the molecular formula C19H16BrNO3S and a molecular weight of 418.31 g/mol. Its IUPAC name is 4-bromo-N-[2-(3-methoxyphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(3-methoxyphenyl)phenyl]benzenesulfonamide
PubChem CID135086781
Molecular FormulaC19H16BrNO3S
Molecular Weight418.31 g/mol
Exact Mass417.00
IUPAC Name4-bromo-N-[2-(3-methoxyphenyl)phenyl]benzenesulfonamide
SMILESCOc1cccc(-c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C19H16BrNO3S/c1-24-16-6-4-5-14(13-16)18-7-2-3-8-19(18)21-25(22,23)17-11-9-15(20)10-12-17/h2-13,21H,1H3
InChIKeyRFJFQYVYJLWBIH-UHFFFAOYSA-N
XLogP4.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.31
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-phenylphenyl)benzenesulfonamide
CID 19684169
N-[4-chloro-2-(3-methoxyphenyl)phenyl]-4-methylbenzenesulfonamide
CID 135075139
N-[2-(3-methoxyphenyl)-5-nitrophenyl]-4-methylbenzenesulfonamide
CID 139253973
N-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide
CID 122184518
N-(4-bromo-2-phenoxyphenyl)-4-methoxybenzenesulfonamide
CID 68974633
N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide
CID 169370137
4-methoxy-N-(2-phenyl-3-pyridinyl)benzenesulfonamide
CID 154631921
3-fluoro-4-methoxy-N-(2-phenylphenyl)benzenesulfonamide
CID 39825493
4-methoxy-3-nitro-N-(2-phenylphenyl)benzenesulfonamide
CID 7939180
N-[2-(2-acetylphenyl)phenyl]-4-methoxybenzenesulfonamide
CID 58597404
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(4-bromophenyl)sulfonylamino]benzoate
CID 4969062
3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 122194678

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(3-methoxyphenyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(3-methoxyphenyl)phenyl]benzenesulfonamide (CID 135086781) is 4-bromo-N-[2-(3-methoxyphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(3-methoxyphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(3-methoxyphenyl)phenyl]benzenesulfonamide is COc1cccc(-c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 4-bromo-N-[2-(3-methoxyphenyl)phenyl]benzenesulfonamide?
The InChIKey is RFJFQYVYJLWBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO3S/c1-24-16-6-4-5-14(13-16)18-7-2-3-8-19(18)21-25(22,23)17-11-9-15(20)10-12-17/h2-13,21H,1H3.
What are the key properties of 4-bromo-N-[2-(3-methoxyphenyl)phenyl]benzenesulfonamide?
4-bromo-N-[2-(3-methoxyphenyl)phenyl]benzenesulfonamide has a molecular weight of 418.31 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(3-methoxyphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 135086781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).