1-(5-chlorothiophen-2-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine

C12H13ClN2O4S4 — CID 6465609

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H13ClN2O4S4/c13-10-3-4-12(21-10)23(18,19)15-7-5-14(6-8-15)22(16,17)11-2-1-9-20-11/h1-4,9H,5-8H2
InChIKeyIQSODHJPAZZKDZ-UHFFFAOYSA-N
MW412.97 g/mol
LogP2.16
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine

1-(5-chlorothiophen-2-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 6465609) has the molecular formula C12H13ClN2O4S4 and a molecular weight of 412.97 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
PubChem CID6465609
Molecular FormulaC12H13ClN2O4S4
Molecular Weight412.97 g/mol
Exact Mass411.94
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H13ClN2O4S4/c13-10-3-4-12(21-10)23(18,19)15-7-5-14(6-8-15)22(16,17)11-2-1-9-20-11/h1-4,9H,5-8H2
InChIKeyIQSODHJPAZZKDZ-UHFFFAOYSA-N
XLogP2.16
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.97
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-Chloro-2-thienyl)sulfonyl]-4-methylpiperazine
CID 778335
1,4-Bis(thiophen-2-ylsulfonyl)piperazine
CID 1034118
1-(5-Chlorothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
CID 6465014
1-Butylsulfonyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
CID 6464993
4-(2,5-Dichlorothiophen-3-yl)sulfonylthiomorpholine
CID 3344391
1,4-Bis[(5-chlorothiophen-2-yl)sulfonyl]piperazine
CID 5059986
1-(5-Chlorothiophen-2-yl)sulfonyl-4-propylpiperazine
CID 22772806
1-(5-Chlorothiophen-2-yl)sulfonyl-4-ethylpiperazine;hydrochloride
CID 126479866
1,4-Bis[(5-chlorothiophen-2-yl)sulfonyl]-1,4-diazepane
CID 5305450
1-(5-Chloro-thiophene-2-sulfonyl)-4-methyl-piperazine hydrochloride
CID 67000854
5-Chloro-2-[(4-ethylpiperazinyl)sulfonyl]thiophene
CID 6468999
1-(5-Chlorothiophen-2-yl)sulfonyl-4-(3-methylbut-2-enyl)piperazine
CID 8453543

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine (CID 6465609) is 1-(5-chlorothiophen-2-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine is O=S(=O)(c1cccs1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is IQSODHJPAZZKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4S4/c13-10-3-4-12(21-10)23(18,19)15-7-5-14(6-8-15)22(16,17)11-2-1-9-20-11/h1-4,9H,5-8H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
1-(5-chlorothiophen-2-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 412.97 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 6465609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).