2,5-dichloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide

C12H8Cl2F3NO3S2 — CID 3828986

IUPAC2,5-dichloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1C(F)(F)F
InChIInChI=1S/C12H8Cl2F3NO3S2/c1-21-8-3-2-6(4-7(8)12(15,16)17)18-23(19,20)9-5-10(13)22-11(9)14/h2-5,18H,1H3
InChIKeyOYOHWTXRVDDTKM-UHFFFAOYSA-N
MW406.23 g/mol
LogP4.88
Rot. Bonds4

About 2,5-dichloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide

2,5-dichloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide (PubChem CID 3828986) has the molecular formula C12H8Cl2F3NO3S2 and a molecular weight of 406.23 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
PubChem CID3828986
Molecular FormulaC12H8Cl2F3NO3S2
Molecular Weight406.23 g/mol
Exact Mass404.93
IUPAC Name2,5-dichloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1C(F)(F)F
InChIInChI=1S/C12H8Cl2F3NO3S2/c1-21-8-3-2-6(4-7(8)12(15,16)17)18-23(19,20)9-5-10(13)22-11(9)14/h2-5,18H,1H3
InChIKeyOYOHWTXRVDDTKM-UHFFFAOYSA-N
XLogP4.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.23
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide (CID 3828986) is 2,5-dichloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide is COc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1C(F)(F)F.
What is the InChIKey of 2,5-dichloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide?
The InChIKey is OYOHWTXRVDDTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F3NO3S2/c1-21-8-3-2-6(4-7(8)12(15,16)17)18-23(19,20)9-5-10(13)22-11(9)14/h2-5,18H,1H3.
What are the key properties of 2,5-dichloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide?
2,5-dichloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide has a molecular weight of 406.23 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide is sourced from PubChem (CID 3828986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).