5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride

C8H14BrClN2O2S2 — CID 120824454

IUPAC5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1ccc(Br)s1.Cl
InChIInChI=1S/C8H13BrN2O2S2.ClH/c1-6(10-2)5-11-15(12,13)8-4-3-7(9)14-8;/h3-4,6,10-11H,5H2,1-2H3;1H
InChIKeyAOQVXZNOADZOQN-UHFFFAOYSA-N
MW349.70 g/mol
LogP1.82
Rot. Bonds5

About 5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride

5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride (PubChem CID 120824454) has the molecular formula C8H14BrClN2O2S2 and a molecular weight of 349.70 g/mol. Its IUPAC name is 5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
PubChem CID120824454
Molecular FormulaC8H14BrClN2O2S2
Molecular Weight349.70 g/mol
Exact Mass347.94
IUPAC Name5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1ccc(Br)s1.Cl
InChIInChI=1S/C8H13BrN2O2S2.ClH/c1-6(10-2)5-11-15(12,13)8-4-3-7(9)14-8;/h3-4,6,10-11H,5H2,1-2H3;1H
InChIKeyAOQVXZNOADZOQN-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide
CID 57018556
5-methyl-N-[2-(methylamino)propyl]thiophene-2-sulfonamide
CID 120825500
5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
CID 65034614
5-bromo-N-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide
CID 107158212
5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
CID 120825128
5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
CID 848230
5-bromo-2-chloro-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
CID 120824863
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189604
5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide
CID 106158682
2-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic acid
CID 65222656
5-bromo-N-(4-chlorobutan-2-yl)thiophene-2-sulfonamide
CID 83179426
5-chloro-N-[2-(methylamino)propyl]-1-benzothiophene-2-sulfonamide
CID 120825013

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride (CID 120824454) is 5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride is CNC(C)CNS(=O)(=O)c1ccc(Br)s1.Cl.
What is the InChIKey of 5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride?
The InChIKey is AOQVXZNOADZOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2O2S2.ClH/c1-6(10-2)5-11-15(12,13)8-4-3-7(9)14-8;/h3-4,6,10-11H,5H2,1-2H3;1H.
What are the key properties of 5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride?
5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride has a molecular weight of 349.70 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120824454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).