5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide

C11H8Br2ClNO2S2 — CID 107612767

IUPAC5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)sc1Br
InChIInChI=1S/C11H8Br2ClNO2S2/c1-6-4-10(18-11(6)13)19(16,17)15-7-2-3-8(12)9(14)5-7/h2-5,15H,1H3
InChIKeySZAJIRUGVMDIDB-UHFFFAOYSA-N
MW445.59 g/mol
LogP5.04
Rot. Bonds3

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

5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide (PubChem CID 107612767) has the molecular formula C11H8Br2ClNO2S2 and a molecular weight of 445.59 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide
PubChem CID107612767
Molecular FormulaC11H8Br2ClNO2S2
Molecular Weight445.59 g/mol
Exact Mass442.81
IUPAC Name5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)sc1Br
InChIInChI=1S/C11H8Br2ClNO2S2/c1-6-4-10(18-11(6)13)19(16,17)15-7-2-3-8(12)9(14)5-7/h2-5,15H,1H3
InChIKeySZAJIRUGVMDIDB-UHFFFAOYSA-N
XLogP5.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.59
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3,5-dichlorophenyl)-4-methylthiophene-2-sulfonamide
CID 79995879
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-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-(4-bromo-3-chlorophenyl)thiophene-2-sulfonamide
CID 2207523
N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106090194
N-(4-bromo-3-chlorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 107612754
N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 22774672
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-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide (CID 107612767) is 5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)sc1Br.
What is the InChIKey of 5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is SZAJIRUGVMDIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2ClNO2S2/c1-6-4-10(18-11(6)13)19(16,17)15-7-2-3-8(12)9(14)5-7/h2-5,15H,1H3.
What are the key properties of 5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide?
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 445.59 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 107612767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).