1-thiophen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine

C14H20N4O4S3 — CID 19684932

IUPAC1-thiophen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H20N4O4S3/c1-11-14(12(2)16(3)15-11)25(21,22)18-8-6-17(7-9-18)24(19,20)13-5-4-10-23-13/h4-5,10H,6-9H2,1-3H3
InChIKeyCLPSNBUYZPCUFB-UHFFFAOYSA-N
MW404.54 g/mol
LogP0.79
Rot. Bonds4

About 1-thiophen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine

1-thiophen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 19684932) has the molecular formula C14H20N4O4S3 and a molecular weight of 404.54 g/mol. Its IUPAC name is 1-thiophen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-thiophen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
PubChem CID19684932
Molecular FormulaC14H20N4O4S3
Molecular Weight404.54 g/mol
Exact Mass404.06
IUPAC Name1-thiophen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H20N4O4S3/c1-11-14(12(2)16(3)15-11)25(21,22)18-8-6-17(7-9-18)24(19,20)13-5-4-10-23-13/h4-5,10H,6-9H2,1-3H3
InChIKeyCLPSNBUYZPCUFB-UHFFFAOYSA-N
XLogP0.79
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 17022458
2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 19682868
1-naphthalen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 55428799
1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 17022440
1-thiophen-2-ylsulfonylpiperidine
CID 765823
(2-methylphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53078803
(4-thiophen-2-ylsulfonylpiperazin-1-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)quinolin-4-yl]methanone
CID 19518964
(2-methoxyphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53078819
1-(2,5-dimethoxyphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684874
4-thiophen-2-ylsulfonylthiomorpholine
CID 128941068
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 19560378
1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684719

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-thiophen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine (CID 19684932) is 1-thiophen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-thiophen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-thiophen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine is Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 1-thiophen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is CLPSNBUYZPCUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S3/c1-11-14(12(2)16(3)15-11)25(21,22)18-8-6-17(7-9-18)24(19,20)13-5-4-10-23-13/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 1-thiophen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine?
1-thiophen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 404.54 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 19684932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).