1-(2,5-dichlorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine

C14H14Cl2N2O4S3 — CID 17379420

IUPAC1-(2,5-dichlorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H14Cl2N2O4S3/c15-11-3-4-12(16)13(10-11)24(19,20)17-5-7-18(8-6-17)25(21,22)14-2-1-9-23-14/h1-4,9-10H,5-8H2
InChIKeyXNEBQNGQTWOCPB-UHFFFAOYSA-N
MW441.38 g/mol
LogP2.75
Rot. Bonds4

About 1-(2,5-dichlorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine

1-(2,5-dichlorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 17379420) has the molecular formula C14H14Cl2N2O4S3 and a molecular weight of 441.38 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
PubChem CID17379420
Molecular FormulaC14H14Cl2N2O4S3
Molecular Weight441.38 g/mol
Exact Mass439.95
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H14Cl2N2O4S3/c15-11-3-4-12(16)13(10-11)24(19,20)17-5-7-18(8-6-17)25(21,22)14-2-1-9-23-14/h1-4,9-10H,5-8H2
InChIKeyXNEBQNGQTWOCPB-UHFFFAOYSA-N
XLogP2.75
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 51169067
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 19684927
(5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9086144
1-thiophen-2-ylsulfonylpiperidine
CID 765823
2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 108561586
N-[4,5-dichloro-2-[(2,5-dichlorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970539
1-(2,5-dichlorophenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19684894
4-thiophen-2-ylsulfonylthiomorpholine
CID 128941068
2-(2,4-dichlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108561076
1-thiophen-2-ylsulfonylpiperazin-4-ium
CID 7016013
1-thiophen-2-ylsulfonylpiperazine
CID 3865892

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine (CID 17379420) is 1-(2,5-dichlorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine is O=S(=O)(c1cccs1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is XNEBQNGQTWOCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O4S3/c15-11-3-4-12(16)13(10-11)24(19,20)17-5-7-18(8-6-17)25(21,22)14-2-1-9-23-14/h1-4,9-10H,5-8H2.
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
1-(2,5-dichlorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 441.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 17379420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).