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

C12H12BrNO3S2 — CID 79934527

IUPAC5-bromo-N-(3-hydroxy-4-methylphenyl)-4-methylthiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C)c(Br)s2)cc1O
InChIInChI=1S/C12H12BrNO3S2/c1-7-3-4-9(6-10(7)15)14-19(16,17)11-5-8(2)12(13)18-11/h3-6,14-15H,1-2H3
InChIKeyPVCCUBNIYDRPHD-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.63
Rot. Bonds3

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

5-bromo-N-(3-hydroxy-4-methylphenyl)-4-methylthiophene-2-sulfonamide (PubChem CID 79934527) has the molecular formula C12H12BrNO3S2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 5-bromo-N-(3-hydroxy-4-methylphenyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-hydroxy-4-methylphenyl)-4-methylthiophene-2-sulfonamide
PubChem CID79934527
Molecular FormulaC12H12BrNO3S2
Molecular Weight362.27 g/mol
Exact Mass360.94
IUPAC Name5-bromo-N-(3-hydroxy-4-methylphenyl)-4-methylthiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C)c(Br)s2)cc1O
InChIInChI=1S/C12H12BrNO3S2/c1-7-3-4-9(6-10(7)15)14-19(16,17)11-5-8(2)12(13)18-11/h3-6,14-15H,1-2H3
InChIKeyPVCCUBNIYDRPHD-UHFFFAOYSA-N
XLogP3.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3818227
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide
CID 107612767
5-bromo-N-(4-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 79933721
5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylthiophene-2-sulfonamide
CID 106831901
5-bromo-N-(4-methoxy-3-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79933087
5-bromo-N-(4-bromo-3,5-dimethylphenyl)-4-methylthiophene-2-sulfonamide
CID 107575185
5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide
CID 79912739
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylthiophene-2-sulfonamide
CID 79912736
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
5-bromo-N-(3,5-dichlorophenyl)-4-methylthiophene-2-sulfonamide
CID 79995879
2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794052
5-bromo-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide
CID 79997910

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-hydroxy-4-methylphenyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(3-hydroxy-4-methylphenyl)-4-methylthiophene-2-sulfonamide (CID 79934527) is 5-bromo-N-(3-hydroxy-4-methylphenyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3-hydroxy-4-methylphenyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(3-hydroxy-4-methylphenyl)-4-methylthiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2cc(C)c(Br)s2)cc1O.
What is the InChIKey of 5-bromo-N-(3-hydroxy-4-methylphenyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is PVCCUBNIYDRPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO3S2/c1-7-3-4-9(6-10(7)15)14-19(16,17)11-5-8(2)12(13)18-11/h3-6,14-15H,1-2H3.
What are the key properties of 5-bromo-N-(3-hydroxy-4-methylphenyl)-4-methylthiophene-2-sulfonamide?
5-bromo-N-(3-hydroxy-4-methylphenyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 362.27 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-hydroxy-4-methylphenyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79934527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).