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

C8H4F3N3O2S2 — CID 141365411

IUPAC2,3,4-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1ccc(F)c(F)c1F
InChIInChI=1S/C8H4F3N3O2S2/c9-4-1-2-5(7(11)6(4)10)18(15,16)14-8-12-3-13-17-8/h1-3H,(H,12,13,14)
InChIKeyOJRGSHKRKDPXMQ-UHFFFAOYSA-N
MW295.27 g/mol
LogP1.76
Rot. Bonds3

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

2,3,4-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 141365411) has the molecular formula C8H4F3N3O2S2 and a molecular weight of 295.27 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID141365411
Molecular FormulaC8H4F3N3O2S2
Molecular Weight295.27 g/mol
Exact Mass294.97
IUPAC Name2,3,4-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1ccc(F)c(F)c1F
InChIInChI=1S/C8H4F3N3O2S2/c9-4-1-2-5(7(11)6(4)10)18(15,16)14-8-12-3-13-17-8/h1-3H,(H,12,13,14)
InChIKeyOJRGSHKRKDPXMQ-UHFFFAOYSA-N
XLogP1.76
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 129251701
4-(4-chloro-2-pyridin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 141441697
2,6-difluoro-3-methyl-4-(methylamino)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 155278638
5-chloro-2-fluoro-4-[4-(hydroxyamino)butylamino]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 129258417
4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716313
3-amino-2,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 107343891
2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 4846605
4-(8-aminooctylamino)-5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 158367208
2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951370
4-[2-(6-amino-2-pyridinyl)-4-chlorophenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71719317
N-(2,5-dimethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide
CID 3730633
2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 3588933

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 141365411) is 2,3,4-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ncns1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is OJRGSHKRKDPXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3O2S2/c9-4-1-2-5(7(11)6(4)10)18(15,16)14-8-12-3-13-17-8/h1-3H,(H,12,13,14).
What are the key properties of 2,3,4-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
2,3,4-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 295.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 141365411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).