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

C8H5ClFN3O2S2 — CID 87198487

IUPACN-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1F)N(Cl)c1nncs1
InChIInChI=1S/C8H5ClFN3O2S2/c9-13(8-12-11-5-16-8)17(14,15)7-4-2-1-3-6(7)10/h1-5H
InChIKeyFCUYFJPAKLPHRY-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.03
Rot. Bonds3

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

N-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 87198487) has the molecular formula C8H5ClFN3O2S2 and a molecular weight of 293.73 g/mol. Its IUPAC name is N-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID87198487
Molecular FormulaC8H5ClFN3O2S2
Molecular Weight293.73 g/mol
Exact Mass292.95
IUPAC NameN-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1F)N(Cl)c1nncs1
InChIInChI=1S/C8H5ClFN3O2S2/c9-13(8-12-11-5-16-8)17(14,15)7-4-2-1-3-6(7)10/h1-5H
InChIKeyFCUYFJPAKLPHRY-UHFFFAOYSA-N
XLogP2.03
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 52.03
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-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 87198487) is N-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is O=S(=O)(c1ccccc1F)N(Cl)c1nncs1.
What is the InChIKey of N-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is FCUYFJPAKLPHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN3O2S2/c9-13(8-12-11-5-16-8)17(14,15)7-4-2-1-3-6(7)10/h1-5H.
What are the key properties of N-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
N-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 293.73 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 87198487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).