3-chloro-4-fluoro-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide

C11H11ClFN3O2S2 — CID 21081326

IUPAC3-chloro-4-fluoro-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCC(C)c1nsc(NS(=O)(=O)c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C11H11ClFN3O2S2/c1-6(2)10-14-11(19-15-10)16-20(17,18)7-3-4-9(13)8(12)5-7/h3-6H,1-2H3,(H,14,15,16)
InChIKeyOEFSQAHDEODZRW-UHFFFAOYSA-N
MW335.81 g/mol
LogP3.25
Rot. Bonds4

About 3-chloro-4-fluoro-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide

3-chloro-4-fluoro-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 21081326) has the molecular formula C11H11ClFN3O2S2 and a molecular weight of 335.81 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID21081326
Molecular FormulaC11H11ClFN3O2S2
Molecular Weight335.81 g/mol
Exact Mass335.00
IUPAC Name3-chloro-4-fluoro-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCC(C)c1nsc(NS(=O)(=O)c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C11H11ClFN3O2S2/c1-6(2)10-14-11(19-15-10)16-20(17,18)7-3-4-9(13)8(12)5-7/h3-6H,1-2H3,(H,14,15,16)
InChIKeyOEFSQAHDEODZRW-UHFFFAOYSA-N
XLogP3.25
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 21081326) is 3-chloro-4-fluoro-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide is CC(C)c1nsc(NS(=O)(=O)c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 3-chloro-4-fluoro-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is OEFSQAHDEODZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O2S2/c1-6(2)10-14-11(19-15-10)16-20(17,18)7-3-4-9(13)8(12)5-7/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of 3-chloro-4-fluoro-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
3-chloro-4-fluoro-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 335.81 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 21081326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).