5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide;dihydrochloride

C10H18BrCl2N3O2S2 — CID 119966296

IUPAC5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide;dihydrochloride
SMILESCl.Cl.O=S(=O)(NCCN1CCNCC1)c1ccc(Br)s1
InChIInChI=1S/C10H16BrN3O2S2.2ClH/c11-9-1-2-10(17-9)18(15,16)13-5-8-14-6-3-12-4-7-14;;/h1-2,12-13H,3-8H2;2*1H
InChIKeyBGSMZLRSDCZJIS-UHFFFAOYSA-N
MW427.22 g/mol
LogP1.54
Rot. Bonds5

About 5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide;dihydrochloride

5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide;dihydrochloride (PubChem CID 119966296) has the molecular formula C10H18BrCl2N3O2S2 and a molecular weight of 427.22 g/mol. Its IUPAC name is 5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide;dihydrochloride.

Molecular Properties

Compound Name5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide;dihydrochloride
PubChem CID119966296
Molecular FormulaC10H18BrCl2N3O2S2
Molecular Weight427.22 g/mol
Exact Mass424.94
IUPAC Name5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide;dihydrochloride
SMILESCl.Cl.O=S(=O)(NCCN1CCNCC1)c1ccc(Br)s1
InChIInChI=1S/C10H16BrN3O2S2.2ClH/c11-9-1-2-10(17-9)18(15,16)13-5-8-14-6-3-12-4-7-14;;/h1-2,12-13H,3-8H2;2*1H
InChIKeyBGSMZLRSDCZJIS-UHFFFAOYSA-N
XLogP1.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.22
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 120707438
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CID 106606518
5-bromo-N-(3-piperazin-1-ylpropyl)thiophen-2-amine
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5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 43600302
5-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]thiophene-2-sulfonamide
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4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43605186

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide;dihydrochloride?
The IUPAC name of 5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide;dihydrochloride (CID 119966296) is 5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide;dihydrochloride.
What is the SMILES notation for 5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide;dihydrochloride?
The canonical SMILES for 5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide;dihydrochloride is Cl.Cl.O=S(=O)(NCCN1CCNCC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide;dihydrochloride?
The InChIKey is BGSMZLRSDCZJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2S2.2ClH/c11-9-1-2-10(17-9)18(15,16)13-5-8-14-6-3-12-4-7-14;;/h1-2,12-13H,3-8H2;2*1H.
What are the key properties of 5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide;dihydrochloride?
5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide;dihydrochloride has a molecular weight of 427.22 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide;dihydrochloride is sourced from PubChem (CID 119966296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).