3-bromo-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride

C8H14BrClN2O2S2 — CID 119972869

IUPAC3-bromo-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)c1sc(C)cc1Br.Cl
InChIInChI=1S/C8H13BrN2O2S2.ClH/c1-6-5-7(9)8(14-6)15(12,13)11-4-3-10-2;/h5,10-11H,3-4H2,1-2H3;1H
InChIKeyUMLWOPMFPOJICI-UHFFFAOYSA-N
MW349.70 g/mol
LogP1.74
Rot. Bonds5

About 3-bromo-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride

3-bromo-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride (PubChem CID 119972869) has the molecular formula C8H14BrClN2O2S2 and a molecular weight of 349.70 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
PubChem CID119972869
Molecular FormulaC8H14BrClN2O2S2
Molecular Weight349.70 g/mol
Exact Mass347.94
IUPAC Name3-bromo-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)c1sc(C)cc1Br.Cl
InChIInChI=1S/C8H13BrN2O2S2.ClH/c1-6-5-7(9)8(14-6)15(12,13)11-4-3-10-2;/h5,10-11H,3-4H2,1-2H3;1H
InChIKeyUMLWOPMFPOJICI-UHFFFAOYSA-N
XLogP1.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.70
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide
CID 62658925
5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119972955
4-bromo-3-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973263
3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 119964647
2-bromo-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973114
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62658357
2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659681
2-bromo-N-[2-(methylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120708659
4-bromo-2,3-dichloro-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 120708767
4-tert-butyl-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119973128
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
3-bromo-4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119973197

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 3-bromo-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride (CID 119972869) is 3-bromo-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 3-bromo-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 3-bromo-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride is CNCCNS(=O)(=O)c1sc(C)cc1Br.Cl.
What is the InChIKey of 3-bromo-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride?
The InChIKey is UMLWOPMFPOJICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2O2S2.ClH/c1-6-5-7(9)8(14-6)15(12,13)11-4-3-10-2;/h5,10-11H,3-4H2,1-2H3;1H.
What are the key properties of 3-bromo-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride?
3-bromo-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride has a molecular weight of 349.70 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119972869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).