1-(2-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine

C14H15ClN2O2S2 — CID 1245098

IUPAC1-(2-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C14H15ClN2O2S2/c15-12-4-1-2-5-13(12)16-7-9-17(10-8-16)21(18,19)14-6-3-11-20-14/h1-6,11H,7-10H2
InChIKeyDEBQNKQEKJJQKG-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.91
Rot. Bonds3

About 1-(2-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine

1-(2-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 1245098) has the molecular formula C14H15ClN2O2S2 and a molecular weight of 342.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine
PubChem CID1245098
Molecular FormulaC14H15ClN2O2S2
Molecular Weight342.87 g/mol
Exact Mass342.03
IUPAC Name1-(2-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C14H15ClN2O2S2/c15-12-4-1-2-5-13(12)16-7-9-17(10-8-16)21(18,19)14-6-3-11-20-14/h1-6,11H,7-10H2
InChIKeyDEBQNKQEKJJQKG-UHFFFAOYSA-N
XLogP2.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

SF-22
CID 2111037
1-Phenyl-4-(2-thienylsulfonyl)piperazine
CID 738300
1-(4-Chloro-phenyl)-4-(thiophene-2-sulfonyl)-piperazine
CID 893728
2,5-dichloro-N-(4-piperidin-1-ylphenyl)thiophene-3-sulfonamide
CID 2813371
1-(2-Fluoro-phenyl)-4-(thiophene-2-sulfonyl)-piperazine
CID 893389
1-(4-Chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763774
N-(5-chloro-2-piperidin-1-ylphenyl)thiophene-2-sulfonamide
CID 2572988
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 7359928
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 15987762
N-(2-chloro-4-fluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 16331852
1-(2-Chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 23992579
1-(2,3-Dichlorophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 72164180

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-(2-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine (CID 1245098) is 1-(2-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(2-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine is O=S(=O)(c1cccs1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is DEBQNKQEKJJQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S2/c15-12-4-1-2-5-13(12)16-7-9-17(10-8-16)21(18,19)14-6-3-11-20-14/h1-6,11H,7-10H2.
What are the key properties of 1-(2-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine?
1-(2-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 342.87 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 1245098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).