N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-5-chloro-N-methylthiophene-2-sulfonamide

C16H18BrClN4O3S2 — CID 55656883

IUPACN-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-5-chloro-N-methylthiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCN(c2ccc(Br)cn2)CC1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H18BrClN4O3S2/c1-20(27(24,25)16-5-3-13(18)26-16)11-15(23)22-8-6-21(7-9-22)14-4-2-12(17)10-19-14/h2-5,10H,6-9,11H2,1H3
InChIKeyXNAULHJRUVYJIX-UHFFFAOYSA-N
MW493.84 g/mol
LogP2.53
Rot. Bonds5

About N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-5-chloro-N-methylthiophene-2-sulfonamide

N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-5-chloro-N-methylthiophene-2-sulfonamide (PubChem CID 55656883) has the molecular formula C16H18BrClN4O3S2 and a molecular weight of 493.84 g/mol. Its IUPAC name is N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-5-chloro-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-5-chloro-N-methylthiophene-2-sulfonamide
PubChem CID55656883
Molecular FormulaC16H18BrClN4O3S2
Molecular Weight493.84 g/mol
Exact Mass491.97
IUPAC NameN-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-5-chloro-N-methylthiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCN(c2ccc(Br)cn2)CC1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H18BrClN4O3S2/c1-20(27(24,25)16-5-3-13(18)26-16)11-15(23)22-8-6-21(7-9-22)14-4-2-12(17)10-19-14/h2-5,10H,6-9,11H2,1H3
InChIKeyXNAULHJRUVYJIX-UHFFFAOYSA-N
XLogP2.53
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.84
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 9255284
5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide;hydrochloride
CID 119401193
5-chloro-N-methyl-N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 55376053
5-chloro-N-methyl-N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 55496223
N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 27809860
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 54871341
(2-morpholin-4-yl-2-oxoethyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 7804748
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione
CID 46433275
[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 86981441
5-(aminomethyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 106266241
5-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide
CID 80577583
5-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide
CID 56552908

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-5-chloro-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-5-chloro-N-methylthiophene-2-sulfonamide (CID 55656883) is N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-5-chloro-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-5-chloro-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-5-chloro-N-methylthiophene-2-sulfonamide is CN(CC(=O)N1CCN(c2ccc(Br)cn2)CC1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-5-chloro-N-methylthiophene-2-sulfonamide?
The InChIKey is XNAULHJRUVYJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN4O3S2/c1-20(27(24,25)16-5-3-13(18)26-16)11-15(23)22-8-6-21(7-9-22)14-4-2-12(17)10-19-14/h2-5,10H,6-9,11H2,1H3.
What are the key properties of N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-5-chloro-N-methylthiophene-2-sulfonamide?
N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-5-chloro-N-methylthiophene-2-sulfonamide has a molecular weight of 493.84 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-5-chloro-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 55656883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).