4-[5-[(4-fluorophenyl)methyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide

C18H16FNO2S — CID 67779954

IUPAC4-[5-[(4-fluorophenyl)methyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=CCC=C2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H16FNO2S/c19-16-8-4-13(5-9-16)12-15-2-1-3-18(15)14-6-10-17(11-7-14)23(20,21)22/h2-11H,1,12H2,(H2,20,21,22)
InChIKeyYPGNKCXCCLHGGQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.43
Rot. Bonds4

About 4-[5-[(4-fluorophenyl)methyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide

4-[5-[(4-fluorophenyl)methyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide (PubChem CID 67779954) has the molecular formula C18H16FNO2S and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[5-[(4-fluorophenyl)methyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[(4-fluorophenyl)methyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
PubChem CID67779954
Molecular FormulaC18H16FNO2S
Molecular Weight329.40 g/mol
Exact Mass329.09
IUPAC Name4-[5-[(4-fluorophenyl)methyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=CCC=C2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H16FNO2S/c19-16-8-4-13(5-9-16)12-15-2-1-3-18(15)14-6-10-17(11-7-14)23(20,21)22/h2-11H,1,12H2,(H2,20,21,22)
InChIKeyYPGNKCXCCLHGGQ-UHFFFAOYSA-N
XLogP3.43
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-fluorophenyl)methyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[(4-fluorophenyl)methyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide (CID 67779954) is 4-[5-[(4-fluorophenyl)methyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[(4-fluorophenyl)methyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[(4-fluorophenyl)methyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2=CCC=C2Cc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[5-[(4-fluorophenyl)methyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
The InChIKey is YPGNKCXCCLHGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2S/c19-16-8-4-13(5-9-16)12-15-2-1-3-18(15)14-6-10-17(11-7-14)23(20,21)22/h2-11H,1,12H2,(H2,20,21,22).
What are the key properties of 4-[5-[(4-fluorophenyl)methyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
4-[5-[(4-fluorophenyl)methyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide has a molecular weight of 329.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-fluorophenyl)methyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide is sourced from PubChem (CID 67779954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).