N-(2-methoxypropyl)-2-methyl-3-(trifluoromethyl)benzenesulfonamide

C12H16F3NO3S — CID 102697610

IUPACN-(2-methoxypropyl)-2-methyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cccc(C(F)(F)F)c1C
InChIInChI=1S/C12H16F3NO3S/c1-8(19-3)7-16-20(17,18)11-6-4-5-10(9(11)2)12(13,14)15/h4-6,8,16H,7H2,1-3H3
InChIKeyGXFRYOXKYIPFPU-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.33
Rot. Bonds5

About N-(2-methoxypropyl)-2-methyl-3-(trifluoromethyl)benzenesulfonamide

N-(2-methoxypropyl)-2-methyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 102697610) has the molecular formula C12H16F3NO3S and a molecular weight of 311.33 g/mol. Its IUPAC name is N-(2-methoxypropyl)-2-methyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)-2-methyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID102697610
Molecular FormulaC12H16F3NO3S
Molecular Weight311.33 g/mol
Exact Mass311.08
IUPAC NameN-(2-methoxypropyl)-2-methyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cccc(C(F)(F)F)c1C
InChIInChI=1S/C12H16F3NO3S/c1-8(19-3)7-16-20(17,18)11-6-4-5-10(9(11)2)12(13,14)15/h4-6,8,16H,7H2,1-3H3
InChIKeyGXFRYOXKYIPFPU-UHFFFAOYSA-N
XLogP2.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromobutyl)-2-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 114297627
4-chloro-N-(2-methoxypropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 102697538
2-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 104936834
N-(2-hydroxy-3-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 115754908
3-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697449
3-methyl-4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 81067049
5-bromo-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102697631
2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide
CID 102697579
2-bromo-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102697677
2-methyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 62668032
5-(aminomethyl)-N-(2-methoxypropyl)-2,3-dimethylbenzenesulfonamide
CID 102701453
2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697607

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-2-methyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxypropyl)-2-methyl-3-(trifluoromethyl)benzenesulfonamide (CID 102697610) is N-(2-methoxypropyl)-2-methyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxypropyl)-2-methyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxypropyl)-2-methyl-3-(trifluoromethyl)benzenesulfonamide is COC(C)CNS(=O)(=O)c1cccc(C(F)(F)F)c1C.
What is the InChIKey of N-(2-methoxypropyl)-2-methyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GXFRYOXKYIPFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO3S/c1-8(19-3)7-16-20(17,18)11-6-4-5-10(9(11)2)12(13,14)15/h4-6,8,16H,7H2,1-3H3.
What are the key properties of N-(2-methoxypropyl)-2-methyl-3-(trifluoromethyl)benzenesulfonamide?
N-(2-methoxypropyl)-2-methyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 311.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-2-methyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 102697610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).