5-chloro-4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]thiadiazole

C11H12Cl2N4O2S3 — CID 46562847

IUPAC5-chloro-4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]thiadiazole
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C11H12Cl2N4O2S3/c12-9-1-2-10(20-9)22(18,19)17-5-3-16(4-6-17)7-8-11(13)21-15-14-8/h1-2H,3-7H2
InChIKeyYVUZFVLTPWYXRY-UHFFFAOYSA-N
MW399.35 g/mol
LogP2.41
Rot. Bonds4

About 5-chloro-4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]thiadiazole

5-chloro-4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]thiadiazole (PubChem CID 46562847) has the molecular formula C11H12Cl2N4O2S3 and a molecular weight of 399.35 g/mol. Its IUPAC name is 5-chloro-4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]thiadiazole
PubChem CID46562847
Molecular FormulaC11H12Cl2N4O2S3
Molecular Weight399.35 g/mol
Exact Mass397.95
IUPAC Name5-chloro-4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]thiadiazole
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C11H12Cl2N4O2S3/c12-9-1-2-10(20-9)22(18,19)17-5-3-16(4-6-17)7-8-11(13)21-15-14-8/h1-2H,3-7H2
InChIKeyYVUZFVLTPWYXRY-UHFFFAOYSA-N
XLogP2.41
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.35
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 86901895
1-(1,3-benzodioxol-5-ylmethyl)-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
CID 4082151
2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 33185906
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
4-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propyl]morpholine
CID 60575695
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperazine
CID 45029631
1-(5-chlorothiophen-2-yl)sulfonyl-4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine
CID 60523483
4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 24681499
5-chloro-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole
CID 39975318
(1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248163
(1R)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248165
1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(cyclohexen-1-yl)ethyl]piperazine
CID 113073206

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]thiadiazole (CID 46562847) is 5-chloro-4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]thiadiazole is O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2nnsc2Cl)CC1.
What is the InChIKey of 5-chloro-4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]thiadiazole?
The InChIKey is YVUZFVLTPWYXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4O2S3/c12-9-1-2-10(20-9)22(18,19)17-5-3-16(4-6-17)7-8-11(13)21-15-14-8/h1-2H,3-7H2.
What are the key properties of 5-chloro-4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]thiadiazole?
5-chloro-4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]thiadiazole has a molecular weight of 399.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]thiadiazole is sourced from PubChem (CID 46562847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).