N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

C18H14F3NO4S2 — CID 2809563

IUPACN-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cc2NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C18H14F3NO4S2/c1-25-13-5-7-14(8-6-13)26-16-9-4-12(18(19,20)21)11-15(16)22-28(23,24)17-3-2-10-27-17/h2-11,22H,1H3
InChIKeyKQHLALCBURFTDR-UHFFFAOYSA-N
MW429.44 g/mol
LogP5.37
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 2809563) has the molecular formula C18H14F3NO4S2 and a molecular weight of 429.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
PubChem CID2809563
Molecular FormulaC18H14F3NO4S2
Molecular Weight429.44 g/mol
Exact Mass429.03
IUPAC NameN-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cc2NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C18H14F3NO4S2/c1-25-13-5-7-14(8-6-13)26-16-9-4-12(18(19,20)21)11-15(16)22-28(23,24)17-3-2-10-27-17/h2-11,22H,1H3
InChIKeyKQHLALCBURFTDR-UHFFFAOYSA-N
XLogP5.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.44
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (CID 2809563) is N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is COc1ccc(Oc2ccc(C(F)(F)F)cc2NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is KQHLALCBURFTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO4S2/c1-25-13-5-7-14(8-6-13)26-16-9-4-12(18(19,20)21)11-15(16)22-28(23,24)17-3-2-10-27-17/h2-11,22H,1H3.
What are the key properties of N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 429.44 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2809563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).