1-(4-methylphenyl)sulfonyl-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazine

C19H22N4O2S2 — CID 56584486

IUPAC1-(4-methylphenyl)sulfonyl-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(Cn3ccc(-c4ccsc4)n3)CC2)cc1
InChIInChI=1S/C19H22N4O2S2/c1-16-2-4-18(5-3-16)27(24,25)23-11-9-21(10-12-23)15-22-8-6-19(20-22)17-7-13-26-14-17/h2-8,13-14H,9-12,15H2,1H3
InChIKeyDQCDDYFUFKVENL-UHFFFAOYSA-N
MW402.55 g/mol
LogP2.88
Rot. Bonds5

About 1-(4-methylphenyl)sulfonyl-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazine

1-(4-methylphenyl)sulfonyl-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazine (PubChem CID 56584486) has the molecular formula C19H22N4O2S2 and a molecular weight of 402.55 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazine
PubChem CID56584486
Molecular FormulaC19H22N4O2S2
Molecular Weight402.55 g/mol
Exact Mass402.12
IUPAC Name1-(4-methylphenyl)sulfonyl-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(Cn3ccc(-c4ccsc4)n3)CC2)cc1
InChIInChI=1S/C19H22N4O2S2/c1-16-2-4-18(5-3-16)27(24,25)23-11-9-21(10-12-23)15-22-8-6-19(20-22)17-7-13-26-14-17/h2-8,13-14H,9-12,15H2,1H3
InChIKeyDQCDDYFUFKVENL-UHFFFAOYSA-N
XLogP2.88
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 31418875
1,3-bis[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]imidazolidine-2-thione
CID 3101518
1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
CID 889439
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8742873
1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 719622
5-(methylamino)-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione
CID 9235283
1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
CID 113072895
1-(4-fluorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine
CID 770625
2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 26575815
N-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzamide
CID 24656783
[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 17491465

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazine (CID 56584486) is 1-(4-methylphenyl)sulfonyl-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazine is Cc1ccc(S(=O)(=O)N2CCN(Cn3ccc(-c4ccsc4)n3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazine?
The InChIKey is DQCDDYFUFKVENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S2/c1-16-2-4-18(5-3-16)27(24,25)23-11-9-21(10-12-23)15-22-8-6-19(20-22)17-7-13-26-14-17/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazine?
1-(4-methylphenyl)sulfonyl-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazine has a molecular weight of 402.55 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazine is sourced from PubChem (CID 56584486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).