5-bromo-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide

C14H17BrN2O2S2 — CID 79998136

IUPAC5-bromo-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide
SMILESCCNCc1cccc(NS(=O)(=O)c2cc(C)c(Br)s2)c1
InChIInChI=1S/C14H17BrN2O2S2/c1-3-16-9-11-5-4-6-12(8-11)17-21(18,19)13-7-10(2)14(15)20-13/h4-8,16-17H,3,9H2,1-2H3
InChIKeyIEZIIWNGFDWQMA-UHFFFAOYSA-N
MW389.34 g/mol
LogP3.73
Rot. Bonds6

About 5-bromo-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide

5-bromo-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide (PubChem CID 79998136) has the molecular formula C14H17BrN2O2S2 and a molecular weight of 389.34 g/mol. Its IUPAC name is 5-bromo-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide
PubChem CID79998136
Molecular FormulaC14H17BrN2O2S2
Molecular Weight389.34 g/mol
Exact Mass387.99
IUPAC Name5-bromo-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide
SMILESCCNCc1cccc(NS(=O)(=O)c2cc(C)c(Br)s2)c1
InChIInChI=1S/C14H17BrN2O2S2/c1-3-16-9-11-5-4-6-12(8-11)17-21(18,19)13-7-10(2)14(15)20-13/h4-8,16-17H,3,9H2,1-2H3
InChIKeyIEZIIWNGFDWQMA-UHFFFAOYSA-N
XLogP3.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide
CID 103100364
5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide
CID 79912739
N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide
CID 43606244
5-bromo-N-(3-hydroxy-4-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79934527
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide
CID 107612767
3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline
CID 114810494
5-bromo-N-(4-bromo-3,5-dimethylphenyl)-4-methylthiophene-2-sulfonamide
CID 107575185
N-[3-(ethylaminomethyl)phenyl]-2-fluorobenzenesulfonamide
CID 43606250
5-bromo-N-(4-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 79933721
N-[3-(ethylaminomethyl)phenyl]-2-methylpyrazole-3-sulfonamide
CID 104710205
N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106058540
N-[3-(aminomethyl)phenyl]-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577855

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide (CID 79998136) is 5-bromo-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide is CCNCc1cccc(NS(=O)(=O)c2cc(C)c(Br)s2)c1.
What is the InChIKey of 5-bromo-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is IEZIIWNGFDWQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S2/c1-3-16-9-11-5-4-6-12(8-11)17-21(18,19)13-7-10(2)14(15)20-13/h4-8,16-17H,3,9H2,1-2H3.
What are the key properties of 5-bromo-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide?
5-bromo-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 389.34 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79998136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).