N-(2-bromophenyl)-2-methoxybenzenesulfonamide

C13H12BrNO3S — CID 47104314

IUPACN-(2-bromophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C13H12BrNO3S/c1-18-12-8-4-5-9-13(12)19(16,17)15-11-7-3-2-6-10(11)14/h2-9,15H,1H3
InChIKeyVHHDBXIVUYIGQV-UHFFFAOYSA-N
MW342.21 g/mol
LogP3.26
Rot. Bonds4

About N-(2-bromophenyl)-2-methoxybenzenesulfonamide

N-(2-bromophenyl)-2-methoxybenzenesulfonamide (PubChem CID 47104314) has the molecular formula C13H12BrNO3S and a molecular weight of 342.21 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-methoxybenzenesulfonamide
PubChem CID47104314
Molecular FormulaC13H12BrNO3S
Molecular Weight342.21 g/mol
Exact Mass340.97
IUPAC NameN-(2-bromophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C13H12BrNO3S/c1-18-12-8-4-5-9-13(12)19(16,17)15-11-7-3-2-6-10(11)14/h2-9,15H,1H3
InChIKeyVHHDBXIVUYIGQV-UHFFFAOYSA-N
XLogP3.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.21
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide
CID 47104436
N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100729224
N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 103816000
2-methoxy-3-[(2-methoxyphenyl)sulfonylamino]benzenesulfonamide
CID 168867113
2-methoxy-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 47784110
methyl 2-[(2-methoxyphenyl)sulfonylamino]benzoate
CID 110757322
2-[(2-methoxyphenyl)sulfonylamino]benzoic acid
CID 43091453
N-(2-fluoro-3-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 138995627
2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide
CID 50876952
2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 35506490
N-(2-bromophenyl)-2-chlorobenzenesulfonamide
CID 4816661
N-(2-bromophenyl)-2,3,4-trimethylbenzenesulfonamide
CID 21210098

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(2-bromophenyl)-2-methoxybenzenesulfonamide (CID 47104314) is N-(2-bromophenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-bromophenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-bromophenyl)-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-methoxybenzenesulfonamide?
The InChIKey is VHHDBXIVUYIGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3S/c1-18-12-8-4-5-9-13(12)19(16,17)15-11-7-3-2-6-10(11)14/h2-9,15H,1H3.
What are the key properties of N-(2-bromophenyl)-2-methoxybenzenesulfonamide?
N-(2-bromophenyl)-2-methoxybenzenesulfonamide has a molecular weight of 342.21 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 47104314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).