N-[(4-fluorophenyl)-(5-oxocyclopenten-1-yl)methyl]-4-methylbenzenesulfonamide

C19H18FNO3S — CID 23584814

IUPACN-[(4-fluorophenyl)-(5-oxocyclopenten-1-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C2=CCCC2=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FNO3S/c1-13-5-11-16(12-6-13)25(23,24)21-19(17-3-2-4-18(17)22)14-7-9-15(20)10-8-14/h3,5-12,19,21H,2,4H2,1H3
InChIKeyPQTQMOKNHLUENH-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.44
Rot. Bonds5

About N-[(4-fluorophenyl)-(5-oxocyclopenten-1-yl)methyl]-4-methylbenzenesulfonamide

N-[(4-fluorophenyl)-(5-oxocyclopenten-1-yl)methyl]-4-methylbenzenesulfonamide (PubChem CID 23584814) has the molecular formula C19H18FNO3S and a molecular weight of 359.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(5-oxocyclopenten-1-yl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(5-oxocyclopenten-1-yl)methyl]-4-methylbenzenesulfonamide
PubChem CID23584814
Molecular FormulaC19H18FNO3S
Molecular Weight359.42 g/mol
Exact Mass359.10
IUPAC NameN-[(4-fluorophenyl)-(5-oxocyclopenten-1-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C2=CCCC2=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FNO3S/c1-13-5-11-16(12-6-13)25(23,24)21-19(17-3-2-4-18(17)22)14-7-9-15(20)10-8-14/h3,5-12,19,21H,2,4H2,1H3
InChIKeyPQTQMOKNHLUENH-UHFFFAOYSA-N
XLogP3.44
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(5-oxocyclopenten-1-yl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)-(5-oxocyclopenten-1-yl)methyl]-4-methylbenzenesulfonamide (CID 23584814) is N-[(4-fluorophenyl)-(5-oxocyclopenten-1-yl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(5-oxocyclopenten-1-yl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)-(5-oxocyclopenten-1-yl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C2=CCCC2=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-(5-oxocyclopenten-1-yl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is PQTQMOKNHLUENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3S/c1-13-5-11-16(12-6-13)25(23,24)21-19(17-3-2-4-18(17)22)14-7-9-15(20)10-8-14/h3,5-12,19,21H,2,4H2,1H3.
What are the key properties of N-[(4-fluorophenyl)-(5-oxocyclopenten-1-yl)methyl]-4-methylbenzenesulfonamide?
N-[(4-fluorophenyl)-(5-oxocyclopenten-1-yl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 359.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(5-oxocyclopenten-1-yl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 23584814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).