(3-chlorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone

C15H14Cl2N2O3S2 — CID 4851373

IUPAC(3-chlorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C15H14Cl2N2O3S2/c16-12-3-1-2-11(10-12)15(20)18-6-8-19(9-7-18)24(21,22)14-5-4-13(17)23-14/h1-5,10H,6-9H2
InChIKeyREFFXRPFAUYWEJ-UHFFFAOYSA-N
MW405.33 g/mol
LogP3.20
Rot. Bonds3

About (3-chlorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone

(3-chlorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 4851373) has the molecular formula C15H14Cl2N2O3S2 and a molecular weight of 405.33 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID4851373
Molecular FormulaC15H14Cl2N2O3S2
Molecular Weight405.33 g/mol
Exact Mass403.98
IUPAC Name(3-chlorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C15H14Cl2N2O3S2/c16-12-3-1-2-11(10-12)15(20)18-6-8-19(9-7-18)24(21,22)14-5-4-13(17)23-14/h1-5,10H,6-9H2
InChIKeyREFFXRPFAUYWEJ-UHFFFAOYSA-N
XLogP3.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(Phenylsulfonyl)piperazin-1-yl](4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 2225531
Phenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2524719
N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide
CID 2823611
3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 662244
N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide
CID 2161272
2-Methylphenyl 4-(2-thienylsulfonyl)piperazinyl ketone
CID 4827279
2-(2,6-Dichlorophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 16289378
N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-5-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide
CID 16299307
N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 25163198
4-[4-(Thiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 164620879
4-[4-(5-Chlorothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 164623372
1-[4-(5-Chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 8622836

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone (CID 4851373) is (3-chlorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of (3-chlorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is REFFXRPFAUYWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3S2/c16-12-3-1-2-11(10-12)15(20)18-6-8-19(9-7-18)24(21,22)14-5-4-13(17)23-14/h1-5,10H,6-9H2.
What are the key properties of (3-chlorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
(3-chlorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 405.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 4851373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).