2-fluoro-N-methyl-N-(4-methylsulfonylphenyl)-4-(trifluoromethoxy)benzenesulfonamide

C15H13F4NO5S2 — CID 154848279

IUPAC2-fluoro-N-methyl-N-(4-methylsulfonylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCN(c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1F
InChIInChI=1S/C15H13F4NO5S2/c1-20(10-3-6-12(7-4-10)26(2,21)22)27(23,24)14-8-5-11(9-13(14)16)25-15(17,18)19/h3-9H,1-2H3
InChIKeyYWBGWPILVMMKLN-UHFFFAOYSA-N
MW427.40 g/mol
LogP2.95
Rot. Bonds5

About 2-fluoro-N-methyl-N-(4-methylsulfonylphenyl)-4-(trifluoromethoxy)benzenesulfonamide

2-fluoro-N-methyl-N-(4-methylsulfonylphenyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 154848279) has the molecular formula C15H13F4NO5S2 and a molecular weight of 427.40 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(4-methylsulfonylphenyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(4-methylsulfonylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID154848279
Molecular FormulaC15H13F4NO5S2
Molecular Weight427.40 g/mol
Exact Mass427.02
IUPAC Name2-fluoro-N-methyl-N-(4-methylsulfonylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCN(c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1F
InChIInChI=1S/C15H13F4NO5S2/c1-20(10-3-6-12(7-4-10)26(2,21)22)27(23,24)14-8-5-11(9-13(14)16)25-15(17,18)19/h3-9H,1-2H3
InChIKeyYWBGWPILVMMKLN-UHFFFAOYSA-N
XLogP2.95
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(4-methylsulfonylphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-methyl-N-(4-methylsulfonylphenyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 154848279) is 2-fluoro-N-methyl-N-(4-methylsulfonylphenyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(4-methylsulfonylphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(4-methylsulfonylphenyl)-4-(trifluoromethoxy)benzenesulfonamide is CN(c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1F.
What is the InChIKey of 2-fluoro-N-methyl-N-(4-methylsulfonylphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is YWBGWPILVMMKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO5S2/c1-20(10-3-6-12(7-4-10)26(2,21)22)27(23,24)14-8-5-11(9-13(14)16)25-15(17,18)19/h3-9H,1-2H3.
What are the key properties of 2-fluoro-N-methyl-N-(4-methylsulfonylphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
2-fluoro-N-methyl-N-(4-methylsulfonylphenyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 427.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(4-methylsulfonylphenyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 154848279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).