N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-1-sulfonamide

C11H11F3N4O4S2 — CID 22401448

IUPACN,N-dimethyl-3-[4-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cnc(S(=O)(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C11H11F3N4O4S2/c1-17(2)24(21,22)18-7-15-10(16-18)23(19,20)9-5-3-8(4-6-9)11(12,13)14/h3-7H,1-2H3
InChIKeyFEOZKZDIJVWWIL-UHFFFAOYSA-N
MW384.36 g/mol
LogP0.78
Rot. Bonds4

About N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-1-sulfonamide

N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-1-sulfonamide (PubChem CID 22401448) has the molecular formula C11H11F3N4O4S2 and a molecular weight of 384.36 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-1-sulfonamide
PubChem CID22401448
Molecular FormulaC11H11F3N4O4S2
Molecular Weight384.36 g/mol
Exact Mass384.02
IUPAC NameN,N-dimethyl-3-[4-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cnc(S(=O)(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C11H11F3N4O4S2/c1-17(2)24(21,22)18-7-15-10(16-18)23(19,20)9-5-3-8(4-6-9)11(12,13)14/h3-7H,1-2H3
InChIKeyFEOZKZDIJVWWIL-UHFFFAOYSA-N
XLogP0.78
TPSA102.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-1-sulfonamide (CID 22401448) is N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-1-sulfonamide is CN(C)S(=O)(=O)n1cnc(S(=O)(=O)c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-1-sulfonamide?
The InChIKey is FEOZKZDIJVWWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O4S2/c1-17(2)24(21,22)18-7-15-10(16-18)23(19,20)9-5-3-8(4-6-9)11(12,13)14/h3-7H,1-2H3.
What are the key properties of N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-1-sulfonamide?
N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-1-sulfonamide has a molecular weight of 384.36 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-1-sulfonamide is sourced from PubChem (CID 22401448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).