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

C12H12F3N3O2S2 — CID 21081382

IUPACN-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)c1nsc(NS(=O)(=O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C12H12F3N3O2S2/c1-7(2)10-16-11(21-17-10)18-22(19,20)9-6-4-3-5-8(9)12(13,14)15/h3-7H,1-2H3,(H,16,17,18)
InChIKeyCOOMQFMOBHHPLZ-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.48
Rot. Bonds4

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

N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 21081382) has the molecular formula C12H12F3N3O2S2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID21081382
Molecular FormulaC12H12F3N3O2S2
Molecular Weight351.38 g/mol
Exact Mass351.03
IUPAC NameN-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)c1nsc(NS(=O)(=O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C12H12F3N3O2S2/c1-7(2)10-16-11(21-17-10)18-22(19,20)9-6-4-3-5-8(9)12(13,14)15/h3-7H,1-2H3,(H,16,17,18)
InChIKeyCOOMQFMOBHHPLZ-UHFFFAOYSA-N
XLogP3.48
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 21081382) is N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide is CC(C)c1nsc(NS(=O)(=O)c2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is COOMQFMOBHHPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2S2/c1-7(2)10-16-11(21-17-10)18-22(19,20)9-6-4-3-5-8(9)12(13,14)15/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide?
N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 351.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 21081382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).