[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone

C19H22F2N2O3S2 — CID 26382500

IUPAC[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone
SMILESCCCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)sc1C
InChIInChI=1S/C19H22F2N2O3S2/c1-3-4-14-11-17(27-13(14)2)19(24)22-7-9-23(10-8-22)28(25,26)18-6-5-15(20)12-16(18)21/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyFZJPTBBHWDFFKZ-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.43
Rot. Bonds5

About [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone

[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone (PubChem CID 26382500) has the molecular formula C19H22F2N2O3S2 and a molecular weight of 428.53 g/mol. Its IUPAC name is [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone
PubChem CID26382500
Molecular FormulaC19H22F2N2O3S2
Molecular Weight428.53 g/mol
Exact Mass428.10
IUPAC Name[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone
SMILESCCCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)sc1C
InChIInChI=1S/C19H22F2N2O3S2/c1-3-4-14-11-17(27-13(14)2)19(24)22-7-9-23(10-8-22)28(25,26)18-6-5-15(20)12-16(18)21/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyFZJPTBBHWDFFKZ-UHFFFAOYSA-N
XLogP3.43
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethyl-5-methylthiophen-2-yl)-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 38753324
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 9370334
1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 51169740
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 17455845
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 27676789
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 9277342
methyl 4-(2,4-difluorophenyl)sulfonylpiperazine-1-carboxylate
CID 110818577
(3-chloro-6-fluoro-1-benzothiophen-2-yl)-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27163870
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 26814306
1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 167882186
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 26814319
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 26418653

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone?
The IUPAC name of [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone (CID 26382500) is [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone?
The canonical SMILES for [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone is CCCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)sc1C.
What is the InChIKey of [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone?
The InChIKey is FZJPTBBHWDFFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3S2/c1-3-4-14-11-17(27-13(14)2)19(24)22-7-9-23(10-8-22)28(25,26)18-6-5-15(20)12-16(18)21/h5-6,11-12H,3-4,7-10H2,1-2H3.
What are the key properties of [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone?
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone has a molecular weight of 428.53 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone is sourced from PubChem (CID 26382500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).