4-[2-[6-(difluoromethyl)-5-methoxy-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide

C18H18F2N2O3S — CID 22917689

IUPAC4-[2-[6-(difluoromethyl)-5-methoxy-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide
SMILESCOc1cc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)cnc1C(F)F
InChIInChI=1S/C18H18F2N2O3S/c1-25-16-9-12(10-22-17(16)18(19)20)15-4-2-3-14(15)11-5-7-13(8-6-11)26(21,23)24/h5-10,18H,2-4H2,1H3,(H2,21,23,24)
InChIKeyYOKLPOMJFXPEAO-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.77
Rot. Bonds5

About 4-[2-[6-(difluoromethyl)-5-methoxy-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide

4-[2-[6-(difluoromethyl)-5-methoxy-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide (PubChem CID 22917689) has the molecular formula C18H18F2N2O3S and a molecular weight of 380.42 g/mol. Its IUPAC name is 4-[2-[6-(difluoromethyl)-5-methoxy-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[6-(difluoromethyl)-5-methoxy-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide
PubChem CID22917689
Molecular FormulaC18H18F2N2O3S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name4-[2-[6-(difluoromethyl)-5-methoxy-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide
SMILESCOc1cc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)cnc1C(F)F
InChIInChI=1S/C18H18F2N2O3S/c1-25-16-9-12(10-22-17(16)18(19)20)15-4-2-3-14(15)11-5-7-13(8-6-11)26(21,23)24/h5-10,18H,2-4H2,1H3,(H2,21,23,24)
InChIKeyYOKLPOMJFXPEAO-UHFFFAOYSA-N
XLogP3.77
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(difluoromethyl)-5-methoxy-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-[6-(difluoromethyl)-5-methoxy-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide (CID 22917689) is 4-[2-[6-(difluoromethyl)-5-methoxy-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[6-(difluoromethyl)-5-methoxy-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-[6-(difluoromethyl)-5-methoxy-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide is COc1cc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)cnc1C(F)F.
What is the InChIKey of 4-[2-[6-(difluoromethyl)-5-methoxy-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide?
The InChIKey is YOKLPOMJFXPEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3S/c1-25-16-9-12(10-22-17(16)18(19)20)15-4-2-3-14(15)11-5-7-13(8-6-11)26(21,23)24/h5-10,18H,2-4H2,1H3,(H2,21,23,24).
What are the key properties of 4-[2-[6-(difluoromethyl)-5-methoxy-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide?
4-[2-[6-(difluoromethyl)-5-methoxy-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide has a molecular weight of 380.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(difluoromethyl)-5-methoxy-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide is sourced from PubChem (CID 22917689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).