5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole

C18H16F2N4O2S2 — CID 6734911

IUPAC5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C18H16F2N4O2S2/c19-15-7-6-14(12-16(15)20)28(25,26)24-10-8-23(9-11-24)18-21-17(22-27-18)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyFHNLWJSMAJTHPU-UHFFFAOYSA-N
MW422.48 g/mol
LogP2.99
Rot. Bonds4

About 5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole

5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole (PubChem CID 6734911) has the molecular formula C18H16F2N4O2S2 and a molecular weight of 422.48 g/mol. Its IUPAC name is 5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole
PubChem CID6734911
Molecular FormulaC18H16F2N4O2S2
Molecular Weight422.48 g/mol
Exact Mass422.07
IUPAC Name5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C18H16F2N4O2S2/c19-15-7-6-14(12-16(15)20)28(25,26)24-10-8-23(9-11-24)18-21-17(22-27-18)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyFHNLWJSMAJTHPU-UHFFFAOYSA-N
XLogP2.99
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole
CID 2809274
5-[4-(Benzenesulfonyl)piperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole
CID 3288422
3-[(4-Methylphenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,2,4-thiadiazole
CID 3290922
5-[4-(Benzenesulfonyl)-3-methylpiperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole
CID 3495664
5-[4-(4-Tert-butylphenyl)sulfonylpiperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole
CID 3514187
3-[(4-Fluorophenyl)methyl]-5-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 3906302
5-[4-(4-Fluorophenyl)sulfonylpiperazin-1-yl]-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazole
CID 4221295
5-[4-(4-Tert-butylphenyl)sulfonyl-3-methylpiperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole
CID 4367517
5-(4-Benzylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole
CID 4588514
5-[4-(4-Fluorophenyl)sulfonyl-3-methylpiperazin-1-yl]-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazole
CID 4598508
3-[(4-Fluorophenyl)methyl]-5-[4-(4-fluorophenyl)sulfonyl-3-methylpiperazin-1-yl]-1,2,4-thiadiazole
CID 4663556
3-[(4-Chlorophenyl)methyl]-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole
CID 5026571

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole (CID 6734911) is 5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole is O=S(=O)(c1ccc(F)c(F)c1)N1CCN(c2nc(-c3ccccc3)ns2)CC1.
What is the InChIKey of 5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole?
The InChIKey is FHNLWJSMAJTHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2S2/c19-15-7-6-14(12-16(15)20)28(25,26)24-10-8-23(9-11-24)18-21-17(22-27-18)13-4-2-1-3-5-13/h1-7,12H,8-11H2.
What are the key properties of 5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole?
5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole has a molecular weight of 422.48 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole is sourced from PubChem (CID 6734911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).