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

C8H5ClFN3O2S2 — CID 66905573

IUPAC5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc(Cl)ccc1F
InChIInChI=1S/C8H5ClFN3O2S2/c9-5-1-2-6(10)7(3-5)17(14,15)13-8-11-4-12-16-8/h1-4H,(H,11,12,13)
InChIKeyYUMSZCXQOBFMPF-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.13
Rot. Bonds3

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

5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 66905573) has the molecular formula C8H5ClFN3O2S2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID66905573
Molecular FormulaC8H5ClFN3O2S2
Molecular Weight293.73 g/mol
Exact Mass292.95
IUPAC Name5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc(Cl)ccc1F
InChIInChI=1S/C8H5ClFN3O2S2/c9-5-1-2-6(10)7(3-5)17(14,15)13-8-11-4-12-16-8/h1-4H,(H,11,12,13)
InChIKeyYUMSZCXQOBFMPF-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

2,3-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 66905309
3-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 66905458
3-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 66905637
2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 66905667
2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 66905805
N-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 87198551
4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 108480991
3,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 117599760
3,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 117600506
3-chloro-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 117653381
3-chloro-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide
CID 123933469
3,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide
CID 123974328

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 66905573) is 5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ncns1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is YUMSZCXQOBFMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN3O2S2/c9-5-1-2-6(10)7(3-5)17(14,15)13-8-11-4-12-16-8/h1-4H,(H,11,12,13).
What are the key properties of 5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-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 5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 66905573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).