5-bromo-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide

C11H16BrN3O3S2 — CID 110407051

IUPAC5-bromo-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
SMILESCN1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C11H16BrN3O3S2/c1-14-4-6-15(7-5-14)10(16)8-13-20(17,18)11-3-2-9(12)19-11/h2-3,13H,4-8H2,1H3
InChIKeyGXKANBYABFQWCL-UHFFFAOYSA-N
MW382.31 g/mol
LogP0.56
Rot. Bonds4

About 5-bromo-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide

5-bromo-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide (PubChem CID 110407051) has the molecular formula C11H16BrN3O3S2 and a molecular weight of 382.31 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
PubChem CID110407051
Molecular FormulaC11H16BrN3O3S2
Molecular Weight382.31 g/mol
Exact Mass380.98
IUPAC Name5-bromo-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
SMILESCN1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C11H16BrN3O3S2/c1-14-4-6-15(7-5-14)10(16)8-13-20(17,18)11-3-2-9(12)19-11/h2-3,13H,4-8H2,1H3
InChIKeyGXKANBYABFQWCL-UHFFFAOYSA-N
XLogP0.56
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 5056774
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide
CID 119376871
5-bromo-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 15993267
5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 47139078
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189604
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 39888506
4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 41172425
1-[4-(5-bromothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120705093
5-chloro-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide
CID 60894936
1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylsulfanylethanone
CID 9298446
methyl 2-[[2-[(5-bromothiophen-2-yl)sulfonylamino]acetyl]amino]-2-methylpropanoate
CID 51131047
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide (CID 110407051) is 5-bromo-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide is CN1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 5-bromo-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The InChIKey is GXKANBYABFQWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3S2/c1-14-4-6-15(7-5-14)10(16)8-13-20(17,18)11-3-2-9(12)19-11/h2-3,13H,4-8H2,1H3.
What are the key properties of 5-bromo-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
5-bromo-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide has a molecular weight of 382.31 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110407051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).