4-[5-(4-chloro-3-fluorophenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide

C17H13ClFNO2S — CID 23370417

IUPAC4-[5-(4-chloro-3-fluorophenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=CCC=C2c2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C17H13ClFNO2S/c18-16-9-6-12(10-17(16)19)15-3-1-2-14(15)11-4-7-13(8-5-11)23(20,21)22/h2-10H,1H2,(H2,20,21,22)
InChIKeyABIFEVMENBZTFJ-UHFFFAOYSA-N
MW349.81 g/mol
LogP4.00
Rot. Bonds3

About 4-[5-(4-chloro-3-fluorophenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide

4-[5-(4-chloro-3-fluorophenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide (PubChem CID 23370417) has the molecular formula C17H13ClFNO2S and a molecular weight of 349.81 g/mol. Its IUPAC name is 4-[5-(4-chloro-3-fluorophenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-chloro-3-fluorophenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide
PubChem CID23370417
Molecular FormulaC17H13ClFNO2S
Molecular Weight349.81 g/mol
Exact Mass349.03
IUPAC Name4-[5-(4-chloro-3-fluorophenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=CCC=C2c2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C17H13ClFNO2S/c18-16-9-6-12(10-17(16)19)15-3-1-2-14(15)11-4-7-13(8-5-11)23(20,21)22/h2-10H,1H2,(H2,20,21,22)
InChIKeyABIFEVMENBZTFJ-UHFFFAOYSA-N
XLogP4.00
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-[3-chloro-4-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370357
4-[5-(3-fluoro-4-methoxyphenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370587
4-[6-(4-chloro-3-fluorophenyl)spiro[2.4]hept-5-en-5-yl]benzenesulfonamide
CID 18934050
4-[2-(4-chloro-3-methylphenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 10810604
4-[2-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 16753763
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
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
1-fluoro-4-[5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-2-(trifluoromethyl)benzene
CID 23370670
4-[2-(3-chlorophenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 18930755
4-[6-(4-chlorophenyl)spiro[2.4]hepta-4,6-dien-5-yl]benzenesulfonamide
CID 22907557
4-[2-(6-chloro-5-fluoro-3-pyridinyl)cyclopenten-1-yl]benzenesulfonamide
CID 22917706

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chloro-3-fluorophenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-chloro-3-fluorophenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide (CID 23370417) is 4-[5-(4-chloro-3-fluorophenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-chloro-3-fluorophenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-chloro-3-fluorophenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2=CCC=C2c2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of 4-[5-(4-chloro-3-fluorophenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
The InChIKey is ABIFEVMENBZTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO2S/c18-16-9-6-12(10-17(16)19)15-3-1-2-14(15)11-4-7-13(8-5-11)23(20,21)22/h2-10H,1H2,(H2,20,21,22).
What are the key properties of 4-[5-(4-chloro-3-fluorophenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
4-[5-(4-chloro-3-fluorophenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide has a molecular weight of 349.81 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chloro-3-fluorophenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide is sourced from PubChem (CID 23370417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).