N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide

C14H14BrNO3S — CID 47310957

IUPACN-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide
SMILESCOc1ccc(Br)cc1NS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C14H14BrNO3S/c1-10-4-3-5-12(8-10)20(17,18)16-13-9-11(15)6-7-14(13)19-2/h3-9,16H,1-2H3
InChIKeyAQCZSPPJQRSIQJ-UHFFFAOYSA-N
MW356.24 g/mol
LogP3.57
Rot. Bonds4

About N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide

N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide (PubChem CID 47310957) has the molecular formula C14H14BrNO3S and a molecular weight of 356.24 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide
PubChem CID47310957
Molecular FormulaC14H14BrNO3S
Molecular Weight356.24 g/mol
Exact Mass354.99
IUPAC NameN-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide
SMILESCOc1ccc(Br)cc1NS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C14H14BrNO3S/c1-10-4-3-5-12(8-10)20(17,18)16-13-9-11(15)6-7-14(13)19-2/h3-9,16H,1-2H3
InChIKeyAQCZSPPJQRSIQJ-UHFFFAOYSA-N
XLogP3.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide
CID 63530508
3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide
CID 26982440
N-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 7938360
4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzenesulfonamide
CID 82845895
3-[(5-bromo-2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60533253
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 47310958
N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 47310946
N-(5-bromo-2-methoxyphenyl)-3-methylquinoline-8-sulfonamide
CID 60533343
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide (CID 47310957) is N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide is COc1ccc(Br)cc1NS(=O)(=O)c1cccc(C)c1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide?
The InChIKey is AQCZSPPJQRSIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S/c1-10-4-3-5-12(8-10)20(17,18)16-13-9-11(15)6-7-14(13)19-2/h3-9,16H,1-2H3.
What are the key properties of N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide?
N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide has a molecular weight of 356.24 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 47310957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).