3-fluoro-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide

C14H15FN4O3S2 — CID 22517509

IUPAC3-fluoro-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(S(=O)(=O)N2CCCCC2)s1)c1cccc(F)c1
InChIInChI=1S/C14H15FN4O3S2/c15-11-6-4-5-10(9-11)12(20)16-13-17-18-14(23-13)24(21,22)19-7-2-1-3-8-19/h4-6,9H,1-3,7-8H2,(H,16,17,20)
InChIKeyQWQVJTAHGCZPJG-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.10
Rot. Bonds4

About 3-fluoro-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide

3-fluoro-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 22517509) has the molecular formula C14H15FN4O3S2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-fluoro-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID22517509
Molecular FormulaC14H15FN4O3S2
Molecular Weight370.43 g/mol
Exact Mass370.06
IUPAC Name3-fluoro-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(S(=O)(=O)N2CCCCC2)s1)c1cccc(F)c1
InChIInChI=1S/C14H15FN4O3S2/c15-11-6-4-5-10(9-11)12(20)16-13-17-18-14(23-13)24(21,22)19-7-2-1-3-8-19/h4-6,9H,1-3,7-8H2,(H,16,17,20)
InChIKeyQWQVJTAHGCZPJG-UHFFFAOYSA-N
XLogP2.10
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-fluoro-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide (CID 22517509) is 3-fluoro-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nnc(S(=O)(=O)N2CCCCC2)s1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is QWQVJTAHGCZPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O3S2/c15-11-6-4-5-10(9-11)12(20)16-13-17-18-14(23-13)24(21,22)19-7-2-1-3-8-19/h4-6,9H,1-3,7-8H2,(H,16,17,20).
What are the key properties of 3-fluoro-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide?
3-fluoro-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 370.43 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 22517509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).