4-[5-[4-methoxy-3-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide

C19H16F3NO3S — CID 23370281

IUPAC4-[5-[4-methoxy-3-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
SMILESCOc1ccc(C2=CCC=C2c2ccc(S(N)(=O)=O)cc2)cc1C(F)(F)F
InChIInChI=1S/C19H16F3NO3S/c1-26-18-10-7-13(11-17(18)19(20,21)22)16-4-2-3-15(16)12-5-8-14(9-6-12)27(23,24)25/h3-11H,2H2,1H3,(H2,23,24,25)
InChIKeyGWSLOKFIJQYIPJ-UHFFFAOYSA-N
MW395.40 g/mol
LogP4.23
Rot. Bonds4

About 4-[5-[4-methoxy-3-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide

4-[5-[4-methoxy-3-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide (PubChem CID 23370281) has the molecular formula C19H16F3NO3S and a molecular weight of 395.40 g/mol. Its IUPAC name is 4-[5-[4-methoxy-3-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[4-methoxy-3-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
PubChem CID23370281
Molecular FormulaC19H16F3NO3S
Molecular Weight395.40 g/mol
Exact Mass395.08
IUPAC Name4-[5-[4-methoxy-3-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
SMILESCOc1ccc(C2=CCC=C2c2ccc(S(N)(=O)=O)cc2)cc1C(F)(F)F
InChIInChI=1S/C19H16F3NO3S/c1-26-18-10-7-13(11-17(18)19(20,21)22)16-4-2-3-15(16)12-5-8-14(9-6-12)27(23,24)25/h3-11H,2H2,1H3,(H2,23,24,25)
InChIKeyGWSLOKFIJQYIPJ-UHFFFAOYSA-N
XLogP4.23
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-methoxy-3-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[4-methoxy-3-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide (CID 23370281) is 4-[5-[4-methoxy-3-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[4-methoxy-3-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[4-methoxy-3-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide is COc1ccc(C2=CCC=C2c2ccc(S(N)(=O)=O)cc2)cc1C(F)(F)F.
What is the InChIKey of 4-[5-[4-methoxy-3-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
The InChIKey is GWSLOKFIJQYIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO3S/c1-26-18-10-7-13(11-17(18)19(20,21)22)16-4-2-3-15(16)12-5-8-14(9-6-12)27(23,24)25/h3-11H,2H2,1H3,(H2,23,24,25).
What are the key properties of 4-[5-[4-methoxy-3-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
4-[5-[4-methoxy-3-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide has a molecular weight of 395.40 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-methoxy-3-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide is sourced from PubChem (CID 23370281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).