4-(1-chloroethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

C10H8ClF2N3O2S2 — CID 135284088

IUPAC4-(1-chloroethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCC(Cl)c1cc(F)c(S(=O)(=O)Nc2ncns2)cc1F
InChIInChI=1S/C10H8ClF2N3O2S2/c1-5(11)6-2-8(13)9(3-7(6)12)20(17,18)16-10-14-4-15-19-10/h2-5H,1H3,(H,14,15,16)
InChIKeyZERUHKNZAWTZMG-UHFFFAOYSA-N
MW339.78 g/mol
LogP2.92
Rot. Bonds4

About 4-(1-chloroethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

4-(1-chloroethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 135284088) has the molecular formula C10H8ClF2N3O2S2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 4-(1-chloroethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-chloroethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID135284088
Molecular FormulaC10H8ClF2N3O2S2
Molecular Weight339.78 g/mol
Exact Mass338.97
IUPAC Name4-(1-chloroethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCC(Cl)c1cc(F)c(S(=O)(=O)Nc2ncns2)cc1F
InChIInChI=1S/C10H8ClF2N3O2S2/c1-5(11)6-2-8(13)9(3-7(6)12)20(17,18)16-10-14-4-15-19-10/h2-5H,1H3,(H,14,15,16)
InChIKeyZERUHKNZAWTZMG-UHFFFAOYSA-N
XLogP2.92
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(1-chloroethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 135284088) is 4-(1-chloroethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(1-chloroethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(1-chloroethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is CC(Cl)c1cc(F)c(S(=O)(=O)Nc2ncns2)cc1F.
What is the InChIKey of 4-(1-chloroethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is ZERUHKNZAWTZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2N3O2S2/c1-5(11)6-2-8(13)9(3-7(6)12)20(17,18)16-10-14-4-15-19-10/h2-5H,1H3,(H,14,15,16).
What are the key properties of 4-(1-chloroethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
4-(1-chloroethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 339.78 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 135284088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).