4-[2-[3-(difluoromethyl)-4-methoxyphenyl]cyclopenten-1-yl]benzenesulfonamide

C19H19F2NO3S — CID 22917578

IUPAC4-[2-[3-(difluoromethyl)-4-methoxyphenyl]cyclopenten-1-yl]benzenesulfonamide
SMILESCOc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)cc1C(F)F
InChIInChI=1S/C19H19F2NO3S/c1-25-18-10-7-13(11-17(18)19(20)21)16-4-2-3-15(16)12-5-8-14(9-6-12)26(22,23)24/h5-11,19H,2-4H2,1H3,(H2,22,23,24)
InChIKeyTUIIQMGOCODTEE-UHFFFAOYSA-N
MW379.43 g/mol
LogP4.37
Rot. Bonds5

About 4-[2-[3-(difluoromethyl)-4-methoxyphenyl]cyclopenten-1-yl]benzenesulfonamide

4-[2-[3-(difluoromethyl)-4-methoxyphenyl]cyclopenten-1-yl]benzenesulfonamide (PubChem CID 22917578) has the molecular formula C19H19F2NO3S and a molecular weight of 379.43 g/mol. Its IUPAC name is 4-[2-[3-(difluoromethyl)-4-methoxyphenyl]cyclopenten-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[3-(difluoromethyl)-4-methoxyphenyl]cyclopenten-1-yl]benzenesulfonamide
PubChem CID22917578
Molecular FormulaC19H19F2NO3S
Molecular Weight379.43 g/mol
Exact Mass379.11
IUPAC Name4-[2-[3-(difluoromethyl)-4-methoxyphenyl]cyclopenten-1-yl]benzenesulfonamide
SMILESCOc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)cc1C(F)F
InChIInChI=1S/C19H19F2NO3S/c1-25-18-10-7-13(11-17(18)19(20)21)16-4-2-3-15(16)12-5-8-14(9-6-12)26(22,23)24/h5-11,19H,2-4H2,1H3,(H2,22,23,24)
InChIKeyTUIIQMGOCODTEE-UHFFFAOYSA-N
XLogP4.37
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(difluoromethyl)-4-methoxyphenyl]cyclopenten-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-[3-(difluoromethyl)-4-methoxyphenyl]cyclopenten-1-yl]benzenesulfonamide (CID 22917578) is 4-[2-[3-(difluoromethyl)-4-methoxyphenyl]cyclopenten-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[3-(difluoromethyl)-4-methoxyphenyl]cyclopenten-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-[3-(difluoromethyl)-4-methoxyphenyl]cyclopenten-1-yl]benzenesulfonamide is COc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)cc1C(F)F.
What is the InChIKey of 4-[2-[3-(difluoromethyl)-4-methoxyphenyl]cyclopenten-1-yl]benzenesulfonamide?
The InChIKey is TUIIQMGOCODTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO3S/c1-25-18-10-7-13(11-17(18)19(20)21)16-4-2-3-15(16)12-5-8-14(9-6-12)26(22,23)24/h5-11,19H,2-4H2,1H3,(H2,22,23,24).
What are the key properties of 4-[2-[3-(difluoromethyl)-4-methoxyphenyl]cyclopenten-1-yl]benzenesulfonamide?
4-[2-[3-(difluoromethyl)-4-methoxyphenyl]cyclopenten-1-yl]benzenesulfonamide has a molecular weight of 379.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(difluoromethyl)-4-methoxyphenyl]cyclopenten-1-yl]benzenesulfonamide is sourced from PubChem (CID 22917578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).