5-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide

C20H18F2N4O3S2 — CID 50818682

IUPAC5-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1nnc(C2CCN(S(=O)(=O)c3ccccc3)CC2)s1
InChIInChI=1S/C20H18F2N4O3S2/c21-14-6-7-17(16(22)12-14)23-18(27)20-25-24-19(30-20)13-8-10-26(11-9-13)31(28,29)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,23,27)
InChIKeyNCVZRVMCHRWDSF-UHFFFAOYSA-N
MW464.52 g/mol
LogP3.64
Rot. Bonds5

About 5-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide

5-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 50818682) has the molecular formula C20H18F2N4O3S2 and a molecular weight of 464.52 g/mol. Its IUPAC name is 5-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID50818682
Molecular FormulaC20H18F2N4O3S2
Molecular Weight464.52 g/mol
Exact Mass464.08
IUPAC Name5-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1nnc(C2CCN(S(=O)(=O)c3ccccc3)CC2)s1
InChIInChI=1S/C20H18F2N4O3S2/c21-14-6-7-17(16(22)12-14)23-18(27)20-25-24-19(30-20)13-8-10-26(11-9-13)31(28,29)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,23,27)
InChIKeyNCVZRVMCHRWDSF-UHFFFAOYSA-N
XLogP3.64
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-difluorophenyl)-5-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50818892
N-(2,4-difluorophenyl)-5-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50818872
5-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50818890
5-[1-(3-cyanophenyl)sulfonylpiperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46376623
N-(2-fluorophenyl)-5-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 46376617
N-(2,4-difluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 46376462
5-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50818776
5-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088994
N-(2,4-difluorophenyl)-5-[(2S)-1-(3,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 95071621
5-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088887
2-[1-(benzenesulfonyl)piperidin-4-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 30864238
N-(2,4-difluorophenyl)-5-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 53072865

Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide (CID 50818682) is 5-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1ccc(F)cc1F)c1nnc(C2CCN(S(=O)(=O)c3ccccc3)CC2)s1.
What is the InChIKey of 5-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is NCVZRVMCHRWDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O3S2/c21-14-6-7-17(16(22)12-14)23-18(27)20-25-24-19(30-20)13-8-10-26(11-9-13)31(28,29)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,23,27).
What are the key properties of 5-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide?
5-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 464.52 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 50818682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).