2-methyl-N-(1-methyltriazol-4-yl)-4-(trifluoromethoxy)benzenesulfonamide

C11H11F3N4O3S — CID 166351219

IUPAC2-methyl-N-(1-methyltriazol-4-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cc(OC(F)(F)F)ccc1S(=O)(=O)Nc1cn(C)nn1
InChIInChI=1S/C11H11F3N4O3S/c1-7-5-8(21-11(12,13)14)3-4-9(7)22(19,20)16-10-6-18(2)17-15-10/h3-6,16H,1-2H3
InChIKeyOOGTTYQLYVPPDB-UHFFFAOYSA-N
MW336.30 g/mol
LogP1.82
Rot. Bonds4

About 2-methyl-N-(1-methyltriazol-4-yl)-4-(trifluoromethoxy)benzenesulfonamide

2-methyl-N-(1-methyltriazol-4-yl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 166351219) has the molecular formula C11H11F3N4O3S and a molecular weight of 336.30 g/mol. Its IUPAC name is 2-methyl-N-(1-methyltriazol-4-yl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(1-methyltriazol-4-yl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID166351219
Molecular FormulaC11H11F3N4O3S
Molecular Weight336.30 g/mol
Exact Mass336.05
IUPAC Name2-methyl-N-(1-methyltriazol-4-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cc(OC(F)(F)F)ccc1S(=O)(=O)Nc1cn(C)nn1
InChIInChI=1S/C11H11F3N4O3S/c1-7-5-8(21-11(12,13)14)3-4-9(7)22(19,20)16-10-6-18(2)17-15-10/h3-6,16H,1-2H3
InChIKeyOOGTTYQLYVPPDB-UHFFFAOYSA-N
XLogP1.82
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methyltriazol-4-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(1-methyltriazol-4-yl)-4-(trifluoromethoxy)benzenesulfonamide (CID 166351219) is 2-methyl-N-(1-methyltriazol-4-yl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(1-methyltriazol-4-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(1-methyltriazol-4-yl)-4-(trifluoromethoxy)benzenesulfonamide is Cc1cc(OC(F)(F)F)ccc1S(=O)(=O)Nc1cn(C)nn1.
What is the InChIKey of 2-methyl-N-(1-methyltriazol-4-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is OOGTTYQLYVPPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O3S/c1-7-5-8(21-11(12,13)14)3-4-9(7)22(19,20)16-10-6-18(2)17-15-10/h3-6,16H,1-2H3.
What are the key properties of 2-methyl-N-(1-methyltriazol-4-yl)-4-(trifluoromethoxy)benzenesulfonamide?
2-methyl-N-(1-methyltriazol-4-yl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 336.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methyltriazol-4-yl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 166351219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).