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

C20H24N4O4S2 — CID 55428799

IUPAC1-naphthalen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H24N4O4S2/c1-15-20(16(2)22(3)21-15)30(27,28)24-12-10-23(11-13-24)29(25,26)19-9-8-17-6-4-5-7-18(17)14-19/h4-9,14H,10-13H2,1-3H3
InChIKeyUQJMGOZJCSTKNG-UHFFFAOYSA-N
MW448.57 g/mol
LogP1.89
Rot. Bonds4

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

1-naphthalen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 55428799) has the molecular formula C20H24N4O4S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
PubChem CID55428799
Molecular FormulaC20H24N4O4S2
Molecular Weight448.57 g/mol
Exact Mass448.12
IUPAC Name1-naphthalen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H24N4O4S2/c1-15-20(16(2)22(3)21-15)30(27,28)24-12-10-23(11-13-24)29(25,26)19-9-8-17-6-4-5-7-18(17)14-19/h4-9,14H,10-13H2,1-3H3
InChIKeyUQJMGOZJCSTKNG-UHFFFAOYSA-N
XLogP1.89
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
(1,5-dimethylpyrazol-3-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 60527755
1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684719
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
1-thiophen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684932
2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 19682868
(2-methylphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53078803
3-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]chromen-2-one
CID 53078770
1-(2,5-dimethoxyphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684874
1-methylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
CID 126477286
4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine
CID 121187246
4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 122343389

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-naphthalen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine (CID 55428799) is 1-naphthalen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-naphthalen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-naphthalen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine is Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-naphthalen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is UQJMGOZJCSTKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S2/c1-15-20(16(2)22(3)21-15)30(27,28)24-12-10-23(11-13-24)29(25,26)19-9-8-17-6-4-5-7-18(17)14-19/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 1-naphthalen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine?
1-naphthalen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 448.57 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 55428799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).