2,5-difluoro-4-phenylmethoxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

C15H11F2N3O3S2 — CID 145181960

IUPAC2,5-difluoro-4-phenylmethoxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc(F)c(OCc2ccccc2)cc1F
InChIInChI=1S/C15H11F2N3O3S2/c16-11-7-14(25(21,22)20-15-18-9-19-24-15)12(17)6-13(11)23-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,18,19,20)
InChIKeyLGSCIXIIHFWIFJ-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.20
Rot. Bonds6

About 2,5-difluoro-4-phenylmethoxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

2,5-difluoro-4-phenylmethoxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 145181960) has the molecular formula C15H11F2N3O3S2 and a molecular weight of 383.40 g/mol. Its IUPAC name is 2,5-difluoro-4-phenylmethoxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-4-phenylmethoxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID145181960
Molecular FormulaC15H11F2N3O3S2
Molecular Weight383.40 g/mol
Exact Mass383.02
IUPAC Name2,5-difluoro-4-phenylmethoxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc(F)c(OCc2ccccc2)cc1F
InChIInChI=1S/C15H11F2N3O3S2/c16-11-7-14(25(21,22)20-15-18-9-19-24-15)12(17)6-13(11)23-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,18,19,20)
InChIKeyLGSCIXIIHFWIFJ-UHFFFAOYSA-N
XLogP3.20
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-phenylmethoxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-4-phenylmethoxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 145181960) is 2,5-difluoro-4-phenylmethoxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-4-phenylmethoxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-4-phenylmethoxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ncns1)c1cc(F)c(OCc2ccccc2)cc1F.
What is the InChIKey of 2,5-difluoro-4-phenylmethoxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is LGSCIXIIHFWIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O3S2/c16-11-7-14(25(21,22)20-15-18-9-19-24-15)12(17)6-13(11)23-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,18,19,20).
What are the key properties of 2,5-difluoro-4-phenylmethoxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
2,5-difluoro-4-phenylmethoxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 383.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-phenylmethoxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 145181960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).