N-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-methoxynaphthalene-1-sulfonamide

C20H18F3NO4S — CID 991014

IUPACN-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-methoxynaphthalene-1-sulfonamide
SMILESCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(OC)c2ccccc12
InChIInChI=1S/C20H18F3NO4S/c1-3-28-18-9-8-13(20(21,22)23)12-16(18)24-29(25,26)19-11-10-17(27-2)14-6-4-5-7-15(14)19/h4-12,24H,3H2,1-2H3
InChIKeyYEQSNFUVPVIRBC-UHFFFAOYSA-N
MW425.43 g/mol
LogP5.07
Rot. Bonds6

About N-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-methoxynaphthalene-1-sulfonamide

N-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-methoxynaphthalene-1-sulfonamide (PubChem CID 991014) has the molecular formula C20H18F3NO4S and a molecular weight of 425.43 g/mol. Its IUPAC name is N-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-methoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-methoxynaphthalene-1-sulfonamide
PubChem CID991014
Molecular FormulaC20H18F3NO4S
Molecular Weight425.43 g/mol
Exact Mass425.09
IUPAC NameN-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-methoxynaphthalene-1-sulfonamide
SMILESCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(OC)c2ccccc12
InChIInChI=1S/C20H18F3NO4S/c1-3-28-18-9-8-13(20(21,22)23)12-16(18)24-29(25,26)19-11-10-17(27-2)14-6-4-5-7-15(14)19/h4-12,24H,3H2,1-2H3
InChIKeyYEQSNFUVPVIRBC-UHFFFAOYSA-N
XLogP5.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.43
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-methoxynaphthalene-1-sulfonamide?
The IUPAC name of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-methoxynaphthalene-1-sulfonamide (CID 991014) is N-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-methoxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-methoxynaphthalene-1-sulfonamide?
The canonical SMILES for N-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-methoxynaphthalene-1-sulfonamide is CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(OC)c2ccccc12.
What is the InChIKey of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-methoxynaphthalene-1-sulfonamide?
The InChIKey is YEQSNFUVPVIRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO4S/c1-3-28-18-9-8-13(20(21,22)23)12-16(18)24-29(25,26)19-11-10-17(27-2)14-6-4-5-7-15(14)19/h4-12,24H,3H2,1-2H3.
What are the key properties of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-methoxynaphthalene-1-sulfonamide?
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-methoxynaphthalene-1-sulfonamide has a molecular weight of 425.43 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-methoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 991014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).