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

C9H8FN3O2S2 — CID 87198521

IUPACN-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(N(F)S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C9H8FN3O2S2/c1-7-11-12-9(16-7)13(10)17(14,15)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyPVPDXYLTJIADFD-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.93
Rot. Bonds3

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

N-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 87198521) has the molecular formula C9H8FN3O2S2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID87198521
Molecular FormulaC9H8FN3O2S2
Molecular Weight273.31 g/mol
Exact Mass273.00
IUPAC NameN-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(N(F)S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C9H8FN3O2S2/c1-7-11-12-9(16-7)13(10)17(14,15)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyPVPDXYLTJIADFD-UHFFFAOYSA-N
XLogP1.93
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 87198521) is N-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is Cc1nnc(N(F)S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of N-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is PVPDXYLTJIADFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2S2/c1-7-11-12-9(16-7)13(10)17(14,15)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of N-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
N-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 273.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 87198521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).