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

C12H14FN3O2S2 — CID 21081365

IUPAC5-fluoro-2-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1nc(C(C)C)ns1
InChIInChI=1S/C12H14FN3O2S2/c1-7(2)11-14-12(19-15-11)16-20(17,18)10-6-9(13)5-4-8(10)3/h4-7H,1-3H3,(H,14,15,16)
InChIKeyDYJHOHXIXQBDMZ-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.91
Rot. Bonds4

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

5-fluoro-2-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 21081365) has the molecular formula C12H14FN3O2S2 and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID21081365
Molecular FormulaC12H14FN3O2S2
Molecular Weight315.40 g/mol
Exact Mass315.05
IUPAC Name5-fluoro-2-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1nc(C(C)C)ns1
InChIInChI=1S/C12H14FN3O2S2/c1-7(2)11-14-12(19-15-11)16-20(17,18)10-6-9(13)5-4-8(10)3/h4-7H,1-3H3,(H,14,15,16)
InChIKeyDYJHOHXIXQBDMZ-UHFFFAOYSA-N
XLogP2.91
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 21081365) is 5-fluoro-2-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1nc(C(C)C)ns1.
What is the InChIKey of 5-fluoro-2-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is DYJHOHXIXQBDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S2/c1-7(2)11-14-12(19-15-11)16-20(17,18)10-6-9(13)5-4-8(10)3/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of 5-fluoro-2-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
5-fluoro-2-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 315.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 21081365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).