4-[5-(3-fluoro-4-methoxyphenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide

C18H16FNO3S — CID 23370587

IUPAC4-[5-(3-fluoro-4-methoxyphenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide
SMILESCOc1ccc(C2=CCC=C2c2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C18H16FNO3S/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/h3-11H,2H2,1H3,(H2,20,21,22)
InChIKeyCVGJRUIGXVJWIJ-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.35
Rot. Bonds4

About 4-[5-(3-fluoro-4-methoxyphenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide

4-[5-(3-fluoro-4-methoxyphenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide (PubChem CID 23370587) has the molecular formula C18H16FNO3S and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[5-(3-fluoro-4-methoxyphenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(3-fluoro-4-methoxyphenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide
PubChem CID23370587
Molecular FormulaC18H16FNO3S
Molecular Weight345.40 g/mol
Exact Mass345.08
IUPAC Name4-[5-(3-fluoro-4-methoxyphenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide
SMILESCOc1ccc(C2=CCC=C2c2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C18H16FNO3S/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/h3-11H,2H2,1H3,(H2,20,21,22)
InChIKeyCVGJRUIGXVJWIJ-UHFFFAOYSA-N
XLogP3.35
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(4-chloro-3-fluorophenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370417
4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
CID 10808251
4-(3-bromo-4-methoxyphenyl)benzenesulfonamide
CID 57313510
4-[3-(3-fluoro-4-methoxyphenyl)-5-methyl-1,2-thiazol-4-yl]benzenesulfonamide
CID 67578397
4-[5-(3-fluoro-4-methoxyphenyl)-3-(1-fluoro-1-phosphanylethyl)pyrazol-1-yl]benzenesulfonamide
CID 143009192
6-(3-fluoro-4-methoxyphenyl)-5-[4-(trifluoromethylsulfonyl)phenyl]spiro[2.4]hepta-4,6-diene
CID 22907566
4-[5-[3-chloro-4-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370357
4-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]-4,5-difluorophenyl]benzenesulfonamide
CID 23451308
5-[5-(4-chloro-3-methoxyphenyl)cyclopenta-1,4-dien-1-yl]-2-[[4-[5-(4-chloro-3-methoxyphenyl)cyclopenta-1,4-dien-1-yl]-2,6-difluorophenyl]methylsulfonylmethyl]-1,3-difluorobenzene
CID 90814025
4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzene-1,4-disulfonamide
CID 46633618
4-[5-[(4-fluorophenyl)methyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 67779954
4-[5-(2-methyl-3-pyridinyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370533

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-fluoro-4-methoxyphenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(3-fluoro-4-methoxyphenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide (CID 23370587) is 4-[5-(3-fluoro-4-methoxyphenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(3-fluoro-4-methoxyphenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(3-fluoro-4-methoxyphenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide is COc1ccc(C2=CCC=C2c2ccc(S(N)(=O)=O)cc2)cc1F.
What is the InChIKey of 4-[5-(3-fluoro-4-methoxyphenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
The InChIKey is CVGJRUIGXVJWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3S/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/h3-11H,2H2,1H3,(H2,20,21,22).
What are the key properties of 4-[5-(3-fluoro-4-methoxyphenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
4-[5-(3-fluoro-4-methoxyphenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide has a molecular weight of 345.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-fluoro-4-methoxyphenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide is sourced from PubChem (CID 23370587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).