5-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide

C11H15BrClN3O3S2 — CID 80577583

IUPAC5-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCNCC1)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H15BrClN3O3S2/c1-15(7-9(17)16-4-2-14-3-5-16)21(18,19)10-6-8(13)11(12)20-10/h6,14H,2-5,7H2,1H3
InChIKeyQMQJKPQACWLTRM-UHFFFAOYSA-N
MW416.75 g/mol
LogP1.22
Rot. Bonds4

About 5-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide

5-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide (PubChem CID 80577583) has the molecular formula C11H15BrClN3O3S2 and a molecular weight of 416.75 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide
PubChem CID80577583
Molecular FormulaC11H15BrClN3O3S2
Molecular Weight416.75 g/mol
Exact Mass414.94
IUPAC Name5-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCNCC1)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H15BrClN3O3S2/c1-15(7-9(17)16-4-2-14-3-5-16)21(18,19)10-6-8(13)11(12)20-10/h6,14H,2-5,7H2,1H3
InChIKeyQMQJKPQACWLTRM-UHFFFAOYSA-N
XLogP1.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.75
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide;hydrochloride
CID 119401193
3,5-dichloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 119967371
2-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 61018551
5-bromo-4-chloro-N-methyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 115967789
4-chloro-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 119967488
2,3-dichloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967368
4-bromo-N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967420
5-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967382
3-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 61018552
2-bromo-4-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967511
5-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-sulfonamide;hydrochloride
CID 119967553
3-[(5-bromo-4-chlorothiophen-2-yl)sulfonyl-methylamino]propanoic acid
CID 80577302

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide (CID 80577583) is 5-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide is CN(CC(=O)N1CCNCC1)S(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide?
The InChIKey is QMQJKPQACWLTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN3O3S2/c1-15(7-9(17)16-4-2-14-3-5-16)21(18,19)10-6-8(13)11(12)20-10/h6,14H,2-5,7H2,1H3.
What are the key properties of 5-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide?
5-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide has a molecular weight of 416.75 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80577583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).