5-bromo-N-(4-methoxy-3-methylphenyl)-4-methylthiophene-2-sulfonamide

C13H14BrNO3S2 — CID 79933087

IUPAC5-bromo-N-(4-methoxy-3-methylphenyl)-4-methylthiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C)c(Br)s2)cc1C
InChIInChI=1S/C13H14BrNO3S2/c1-8-6-10(4-5-11(8)18-3)15-20(16,17)12-7-9(2)13(14)19-12/h4-7,15H,1-3H3
InChIKeyQHACZYQVDMFLDI-UHFFFAOYSA-N
MW376.30 g/mol
LogP3.94
Rot. Bonds4

About 5-bromo-N-(4-methoxy-3-methylphenyl)-4-methylthiophene-2-sulfonamide

5-bromo-N-(4-methoxy-3-methylphenyl)-4-methylthiophene-2-sulfonamide (PubChem CID 79933087) has the molecular formula C13H14BrNO3S2 and a molecular weight of 376.30 g/mol. Its IUPAC name is 5-bromo-N-(4-methoxy-3-methylphenyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-methoxy-3-methylphenyl)-4-methylthiophene-2-sulfonamide
PubChem CID79933087
Molecular FormulaC13H14BrNO3S2
Molecular Weight376.30 g/mol
Exact Mass374.96
IUPAC Name5-bromo-N-(4-methoxy-3-methylphenyl)-4-methylthiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C)c(Br)s2)cc1C
InChIInChI=1S/C13H14BrNO3S2/c1-8-6-10(4-5-11(8)18-3)15-20(16,17)12-7-9(2)13(14)19-12/h4-7,15H,1-3H3
InChIKeyQHACZYQVDMFLDI-UHFFFAOYSA-N
XLogP3.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide
CID 107612767
5-bromo-N-(4-bromo-3,5-dimethylphenyl)-4-methylthiophene-2-sulfonamide
CID 107575185
5-bromo-N-(3-hydroxy-4-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79934527
5-bromo-N-(4-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 79933721
5-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)-4-methylthiophene-2-sulfonamide
CID 106076647
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylthiophene-2-sulfonamide
CID 79912736
5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79998350
5-bromo-N-(3,5-dichlorophenyl)-4-methylthiophene-2-sulfonamide
CID 79995879
5-bromo-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide
CID 79997910
5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide
CID 79912739
5-bromo-N-[1-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 79918576
4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide
CID 110776438

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methoxy-3-methylphenyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(4-methoxy-3-methylphenyl)-4-methylthiophene-2-sulfonamide (CID 79933087) is 5-bromo-N-(4-methoxy-3-methylphenyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-methoxy-3-methylphenyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-methoxy-3-methylphenyl)-4-methylthiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2cc(C)c(Br)s2)cc1C.
What is the InChIKey of 5-bromo-N-(4-methoxy-3-methylphenyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is QHACZYQVDMFLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO3S2/c1-8-6-10(4-5-11(8)18-3)15-20(16,17)12-7-9(2)13(14)19-12/h4-7,15H,1-3H3.
What are the key properties of 5-bromo-N-(4-methoxy-3-methylphenyl)-4-methylthiophene-2-sulfonamide?
5-bromo-N-(4-methoxy-3-methylphenyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 376.30 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methoxy-3-methylphenyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79933087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).