[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone

C15H16Cl2N4O3S — CID 9374240

IUPAC[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cn1
InChIInChI=1S/C15H16Cl2N4O3S/c1-19-10-11(9-18-19)15(22)20-5-7-21(8-6-20)25(23,24)13-4-2-3-12(16)14(13)17/h2-4,9-10H,5-8H2,1H3
InChIKeyLMLPXLJIDYYZEW-UHFFFAOYSA-N
MW403.29 g/mol
LogP1.87
Rot. Bonds3

About [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone

[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 9374240) has the molecular formula C15H16Cl2N4O3S and a molecular weight of 403.29 g/mol. Its IUPAC name is [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID9374240
Molecular FormulaC15H16Cl2N4O3S
Molecular Weight403.29 g/mol
Exact Mass402.03
IUPAC Name[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cn1
InChIInChI=1S/C15H16Cl2N4O3S/c1-19-10-11(9-18-19)15(22)20-5-7-21(8-6-20)25(23,24)13-4-2-3-12(16)14(13)17/h2-4,9-10H,5-8H2,1H3
InChIKeyLMLPXLJIDYYZEW-UHFFFAOYSA-N
XLogP1.87
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-pyrazin-2-ylmethanone
CID 27563231
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 55815330
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
CID 26204876
(4-benzylsulfonylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 9226953
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 26757131
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 26757204
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate
CID 26947781
(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 55905760
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone
CID 27563167
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
CID 39975356
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 55702670

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 9374240) is [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cn1.
What is the InChIKey of [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is LMLPXLJIDYYZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O3S/c1-19-10-11(9-18-19)15(22)20-5-7-21(8-6-20)25(23,24)13-4-2-3-12(16)14(13)17/h2-4,9-10H,5-8H2,1H3.
What are the key properties of [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 403.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 9374240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).