4-(3-bromo-4-methoxyphenyl)benzenesulfonamide

C13H12BrNO3S — CID 57313510

IUPAC4-(3-bromo-4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1Br
InChIInChI=1S/C13H12BrNO3S/c1-18-13-7-4-10(8-12(13)14)9-2-5-11(6-3-9)19(15,16)17/h2-8H,1H3,(H2,15,16,17)
InChIKeyBBHKKZZNGLOQLX-UHFFFAOYSA-N
MW342.21 g/mol
LogP2.77
Rot. Bonds3

About 4-(3-bromo-4-methoxyphenyl)benzenesulfonamide

4-(3-bromo-4-methoxyphenyl)benzenesulfonamide (PubChem CID 57313510) has the molecular formula C13H12BrNO3S and a molecular weight of 342.21 g/mol. Its IUPAC name is 4-(3-bromo-4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-bromo-4-methoxyphenyl)benzenesulfonamide
PubChem CID57313510
Molecular FormulaC13H12BrNO3S
Molecular Weight342.21 g/mol
Exact Mass340.97
IUPAC Name4-(3-bromo-4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1Br
InChIInChI=1S/C13H12BrNO3S/c1-18-13-7-4-10(8-12(13)14)9-2-5-11(6-3-9)19(15,16)17/h2-8H,1H3,(H2,15,16,17)
InChIKeyBBHKKZZNGLOQLX-UHFFFAOYSA-N
XLogP2.77
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.21
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 4843656
4-[5-(3-bromo-4-methoxyphenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide
CID 22315357
CID 118692692
CID 118692692
3-bromo-4-methoxybenzenesulfonic acid;hydrochloride
CID 174435857
2-bromo-1-methoxy-4-phenylbenzene;2-bromo-4-phenylphenol
CID 158310108
4-[5-(3-fluoro-4-methoxyphenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370587
(2-bromo-4-phenylphenyl) sulfamate
CID 23508489
4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
CID 10808251
5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4832626
4-[2-(3,4-dimethoxyphenyl)thiophen-3-yl]benzenesulfonamide
CID 20658521
3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 2263565
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(3-bromo-4-methoxyphenyl)benzenesulfonamide (CID 57313510) is 4-(3-bromo-4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-bromo-4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(3-bromo-4-methoxyphenyl)benzenesulfonamide is COc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1Br.
What is the InChIKey of 4-(3-bromo-4-methoxyphenyl)benzenesulfonamide?
The InChIKey is BBHKKZZNGLOQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3S/c1-18-13-7-4-10(8-12(13)14)9-2-5-11(6-3-9)19(15,16)17/h2-8H,1H3,(H2,15,16,17).
What are the key properties of 4-(3-bromo-4-methoxyphenyl)benzenesulfonamide?
4-(3-bromo-4-methoxyphenyl)benzenesulfonamide has a molecular weight of 342.21 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 57313510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).