5-fluoro-2-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

C15H12FN3O3S2 — CID 100771142

IUPAC5-fluoro-2-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C15H12FN3O3S2/c1-22-12-8-7-11(16)9-13(12)24(20,21)19-15-18-17-14(23-15)10-5-3-2-4-6-10/h2-9H,1H3,(H,18,19)
InChIKeyANPIUQOQOCEQMV-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.15
Rot. Bonds5

About 5-fluoro-2-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

5-fluoro-2-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 100771142) has the molecular formula C15H12FN3O3S2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID100771142
Molecular FormulaC15H12FN3O3S2
Molecular Weight365.41 g/mol
Exact Mass365.03
IUPAC Name5-fluoro-2-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C15H12FN3O3S2/c1-22-12-8-7-11(16)9-13(12)24(20,21)19-15-18-17-14(23-15)10-5-3-2-4-6-10/h2-9H,1H3,(H,18,19)
InChIKeyANPIUQOQOCEQMV-UHFFFAOYSA-N
XLogP3.15
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 100771142) is 5-fluoro-2-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of 5-fluoro-2-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is ANPIUQOQOCEQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S2/c1-22-12-8-7-11(16)9-13(12)24(20,21)19-15-18-17-14(23-15)10-5-3-2-4-6-10/h2-9H,1H3,(H,18,19).
What are the key properties of 5-fluoro-2-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
5-fluoro-2-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 365.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 100771142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).