5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide;hydrochloride

C11H17Cl2N3O3S2 — CID 119401193

IUPAC5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)S(=O)(=O)c1ccc(Cl)s1.Cl
InChIInChI=1S/C11H16ClN3O3S2.ClH/c1-14(8-10(16)15-6-4-13-5-7-15)20(17,18)11-3-2-9(12)19-11;/h2-3,13H,4-8H2,1H3;1H
InChIKeyMMMVDHNCENNEPY-UHFFFAOYSA-N
MW374.32 g/mol
LogP0.88
Rot. Bonds4

About 5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide;hydrochloride

5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide;hydrochloride (PubChem CID 119401193) has the molecular formula C11H17Cl2N3O3S2 and a molecular weight of 374.32 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide;hydrochloride
PubChem CID119401193
Molecular FormulaC11H17Cl2N3O3S2
Molecular Weight374.32 g/mol
Exact Mass373.01
IUPAC Name5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)S(=O)(=O)c1ccc(Cl)s1.Cl
InChIInChI=1S/C11H16ClN3O3S2.ClH/c1-14(8-10(16)15-6-4-13-5-7-15)20(17,18)11-3-2-9(12)19-11;/h2-3,13H,4-8H2,1H3;1H
InChIKeyMMMVDHNCENNEPY-UHFFFAOYSA-N
XLogP0.88
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide
CID 80577583
5-chloro-N-methyl-N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 55496223
5-chloro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 9255284
5-chloro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-2-sulfonamide
CID 50775946
2,3-dichloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967368
2-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 61018551
N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-5-chloro-N-methylthiophene-2-sulfonamide
CID 55656883
3,5-dichloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 119967371
5-chloro-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide
CID 60894936
3-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 61018552
(2-morpholin-4-yl-2-oxoethyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 7804748

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide;hydrochloride (CID 119401193) is 5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide;hydrochloride is CN(CC(=O)N1CCNCC1)S(=O)(=O)c1ccc(Cl)s1.Cl.
What is the InChIKey of 5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide;hydrochloride?
The InChIKey is MMMVDHNCENNEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S2.ClH/c1-14(8-10(16)15-6-4-13-5-7-15)20(17,18)11-3-2-9(12)19-11;/h2-3,13H,4-8H2,1H3;1H.
What are the key properties of 5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide;hydrochloride?
5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide;hydrochloride has a molecular weight of 374.32 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119401193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).