1-[(5-Chloro-2-thienyl)sulfonyl]-4-methylpiperazine

HCID 778335
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Basic information

Standard SMILES
CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIKey
YSZIHDQWFJBDLV-UHFFFAOYSA-N
Molecular formula
C9H13ClN2O2S2
Average molar mass
280.8 g/mol

Names & identifiers

Preferred name
1-[(5-Chloro-2-thienyl)sulfonyl]-4-methylpiperazine
IUPAC
1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperazine

Names & synonyms

Oprea1_486791MLS001123791CHEMBL1548360HMS2991O16AKOS003605721SMR000665916SR-01000266838SR-01000266838-11-[(5-chloro-2-thienyl)sulfonyl]-4-methylpiperazine

Database identifiers

PubChem CID
778335
ChEMBL
CHEMBL1548360

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
77.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
16

Experimental & physicochemical properties

Solubility>42.1 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

1 records
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Compound notes

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