5-bromo-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide

C14H17BrN2O2S2 — CID 79997910

IUPAC5-bromo-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide
SMILESCNC(C)c1ccc(NS(=O)(=O)c2cc(C)c(Br)s2)cc1
InChIInChI=1S/C14H17BrN2O2S2/c1-9-8-13(20-14(9)15)21(18,19)17-12-6-4-11(5-7-12)10(2)16-3/h4-8,10,16-17H,1-3H3
InChIKeyLBHCTZHTNMDUMR-UHFFFAOYSA-N
MW389.34 g/mol
LogP3.90
Rot. Bonds5

About 5-bromo-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide

5-bromo-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide (PubChem CID 79997910) has the molecular formula C14H17BrN2O2S2 and a molecular weight of 389.34 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide
PubChem CID79997910
Molecular FormulaC14H17BrN2O2S2
Molecular Weight389.34 g/mol
Exact Mass387.99
IUPAC Name5-bromo-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide
SMILESCNC(C)c1ccc(NS(=O)(=O)c2cc(C)c(Br)s2)cc1
InChIInChI=1S/C14H17BrN2O2S2/c1-9-8-13(20-14(9)15)21(18,19)17-12-6-4-11(5-7-12)10(2)16-3/h4-8,10,16-17H,1-3H3
InChIKeyLBHCTZHTNMDUMR-UHFFFAOYSA-N
XLogP3.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(4-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 79933721
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide
CID 107612767
2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,3-thiazole-5-sulfonamide
CID 103414481
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-methoxy-3-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79933087
5-bromo-N-(3,5-dichlorophenyl)-4-methylthiophene-2-sulfonamide
CID 79995879
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylthiophene-2-sulfonamide
CID 79912736
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 79998802
5-bromo-N-(2-iodophenyl)-4-methylthiophene-2-sulfonamide
CID 79987659
5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide
CID 79912739
5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 113267852

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide (CID 79997910) is 5-bromo-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide is CNC(C)c1ccc(NS(=O)(=O)c2cc(C)c(Br)s2)cc1.
What is the InChIKey of 5-bromo-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is LBHCTZHTNMDUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S2/c1-9-8-13(20-14(9)15)21(18,19)17-12-6-4-11(5-7-12)10(2)16-3/h4-8,10,16-17H,1-3H3.
What are the key properties of 5-bromo-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide?
5-bromo-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 389.34 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 79997910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).