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

C8H5ClFN3O2S2 — CID 66905418

IUPAC3-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1cccc(Cl)c1F
InChIInChI=1S/C8H5ClFN3O2S2/c9-5-2-1-3-6(7(5)10)17(14,15)13-8-12-11-4-16-8/h1-4H,(H,12,13)
InChIKeyOTKUMQRXUNFTOZ-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.13
Rot. Bonds3

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

3-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 66905418) has the molecular formula C8H5ClFN3O2S2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID66905418
Molecular FormulaC8H5ClFN3O2S2
Molecular Weight293.73 g/mol
Exact Mass292.95
IUPAC Name3-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1cccc(Cl)c1F
InChIInChI=1S/C8H5ClFN3O2S2/c9-5-2-1-3-6(7(5)10)17(14,15)13-8-12-11-4-16-8/h1-4H,(H,12,13)
InChIKeyOTKUMQRXUNFTOZ-UHFFFAOYSA-N
XLogP2.13
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 871955
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CID 202890
CID 202890
CID 43453689
CID 43453689
CID 56597762
CID 56597762
CID 56597763
CID 56597763
CID 56597765
CID 56597765
CID 66905793
CID 66905793
CID 87198487
CID 87198487
CID 5157030
CID 5157030
CID 5157163
CID 5157163
CID 25047030
CID 25047030
CID 71846051
CID 71846051

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 66905418) is 3-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nncs1)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is OTKUMQRXUNFTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN3O2S2/c9-5-2-1-3-6(7(5)10)17(14,15)13-8-12-11-4-16-8/h1-4H,(H,12,13).
What are the key properties of 3-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
3-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 293.73 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 66905418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).