N-methyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide

C18H14F3NO3S — CID 155214063

IUPACN-methyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C18H14F3NO3S/c1-22-26(23,24)15-9-10-16-12(11-15)3-2-4-17(16)25-14-7-5-13(6-8-14)18(19,20)21/h2-11,22H,1H3
InChIKeyAFXWQLCYQYOVEV-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.56
Rot. Bonds4

About N-methyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide

N-methyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide (PubChem CID 155214063) has the molecular formula C18H14F3NO3S and a molecular weight of 381.38 g/mol. Its IUPAC name is N-methyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide
PubChem CID155214063
Molecular FormulaC18H14F3NO3S
Molecular Weight381.38 g/mol
Exact Mass381.06
IUPAC NameN-methyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C18H14F3NO3S/c1-22-26(23,24)15-9-10-16-12(11-15)3-2-4-17(16)25-14-7-5-13(6-8-14)18(19,20)21/h2-11,22H,1H3
InChIKeyAFXWQLCYQYOVEV-UHFFFAOYSA-N
XLogP4.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide?
The IUPAC name of N-methyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide (CID 155214063) is N-methyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide.
What is the SMILES notation for N-methyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide?
The canonical SMILES for N-methyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide is CNS(=O)(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of N-methyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide?
The InChIKey is AFXWQLCYQYOVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO3S/c1-22-26(23,24)15-9-10-16-12(11-15)3-2-4-17(16)25-14-7-5-13(6-8-14)18(19,20)21/h2-11,22H,1H3.
What are the key properties of N-methyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide?
N-methyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide has a molecular weight of 381.38 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide is sourced from PubChem (CID 155214063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).