4-[2-(3-fluoro-4-methoxycyclohexyl)cyclopenten-1-yl]benzenesulfonamide

C18H24FNO3S — CID 142860728

IUPAC4-[2-(3-fluoro-4-methoxycyclohexyl)cyclopenten-1-yl]benzenesulfonamide
SMILESCOC1CCC(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)CC1F
InChIInChI=1S/C18H24FNO3S/c1-23-18-10-7-13(11-17(18)19)16-4-2-3-15(16)12-5-8-14(9-6-12)24(20,21)22/h5-6,8-9,13,17-18H,2-4,7,10-11H2,1H3,(H2,20,21,22)
InChIKeyVTYDNKLIVXREBH-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.42
Rot. Bonds4

About 4-[2-(3-fluoro-4-methoxycyclohexyl)cyclopenten-1-yl]benzenesulfonamide

4-[2-(3-fluoro-4-methoxycyclohexyl)cyclopenten-1-yl]benzenesulfonamide (PubChem CID 142860728) has the molecular formula C18H24FNO3S and a molecular weight of 353.46 g/mol. Its IUPAC name is 4-[2-(3-fluoro-4-methoxycyclohexyl)cyclopenten-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-fluoro-4-methoxycyclohexyl)cyclopenten-1-yl]benzenesulfonamide
PubChem CID142860728
Molecular FormulaC18H24FNO3S
Molecular Weight353.46 g/mol
Exact Mass353.15
IUPAC Name4-[2-(3-fluoro-4-methoxycyclohexyl)cyclopenten-1-yl]benzenesulfonamide
SMILESCOC1CCC(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)CC1F
InChIInChI=1S/C18H24FNO3S/c1-23-18-10-7-13(11-17(18)19)16-4-2-3-15(16)12-5-8-14(9-6-12)24(20,21)22/h5-6,8-9,13,17-18H,2-4,7,10-11H2,1H3,(H2,20,21,22)
InChIKeyVTYDNKLIVXREBH-UHFFFAOYSA-N
XLogP3.42
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoro-4-methoxycyclohexyl)cyclopenten-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(3-fluoro-4-methoxycyclohexyl)cyclopenten-1-yl]benzenesulfonamide (CID 142860728) is 4-[2-(3-fluoro-4-methoxycyclohexyl)cyclopenten-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3-fluoro-4-methoxycyclohexyl)cyclopenten-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3-fluoro-4-methoxycyclohexyl)cyclopenten-1-yl]benzenesulfonamide is COC1CCC(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)CC1F.
What is the InChIKey of 4-[2-(3-fluoro-4-methoxycyclohexyl)cyclopenten-1-yl]benzenesulfonamide?
The InChIKey is VTYDNKLIVXREBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO3S/c1-23-18-10-7-13(11-17(18)19)16-4-2-3-15(16)12-5-8-14(9-6-12)24(20,21)22/h5-6,8-9,13,17-18H,2-4,7,10-11H2,1H3,(H2,20,21,22).
What are the key properties of 4-[2-(3-fluoro-4-methoxycyclohexyl)cyclopenten-1-yl]benzenesulfonamide?
4-[2-(3-fluoro-4-methoxycyclohexyl)cyclopenten-1-yl]benzenesulfonamide has a molecular weight of 353.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluoro-4-methoxycyclohexyl)cyclopenten-1-yl]benzenesulfonamide is sourced from PubChem (CID 142860728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).