4-[3,3-difluoro-5-(6-fluoro-3-pyridinyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide

C16H11F3N2O2S — CID 23370535

IUPAC4-[3,3-difluoro-5-(6-fluoro-3-pyridinyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=CC(F)(F)C=C2c2ccc(F)nc2)cc1
InChIInChI=1S/C16H11F3N2O2S/c17-15-6-3-11(9-21-15)14-8-16(18,19)7-13(14)10-1-4-12(5-2-10)24(20,22)23/h1-9H,(H2,20,22,23)
InChIKeyWDHYOEQYDXHOML-UHFFFAOYSA-N
MW352.34 g/mol
LogP2.98
Rot. Bonds3

About 4-[3,3-difluoro-5-(6-fluoro-3-pyridinyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide

4-[3,3-difluoro-5-(6-fluoro-3-pyridinyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide (PubChem CID 23370535) has the molecular formula C16H11F3N2O2S and a molecular weight of 352.34 g/mol. Its IUPAC name is 4-[3,3-difluoro-5-(6-fluoro-3-pyridinyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3,3-difluoro-5-(6-fluoro-3-pyridinyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide
PubChem CID23370535
Molecular FormulaC16H11F3N2O2S
Molecular Weight352.34 g/mol
Exact Mass352.05
IUPAC Name4-[3,3-difluoro-5-(6-fluoro-3-pyridinyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=CC(F)(F)C=C2c2ccc(F)nc2)cc1
InChIInChI=1S/C16H11F3N2O2S/c17-15-6-3-11(9-21-15)14-8-16(18,19)7-13(14)10-1-4-12(5-2-10)24(20,22)23/h1-9H,(H2,20,22,23)
InChIKeyWDHYOEQYDXHOML-UHFFFAOYSA-N
XLogP2.98
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[3,3-difluoro-5-(6-fluoro-3-pyridinyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

Vonoprazan
CID 15981397
3-(Trifluoromethyl)pyridine-2-sulfonamide
CID 13910921
Benzenesulfonic acid, 4-methyl-, compd. with pyridine (1:1)
CID 466102
1-Tosylpyrrole
CID 640087
4-Methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 731623
4-Methyl-N-pyridin-3-YL-benzenesulfonamide
CID 757406
2-Fluoro-1-methylpyridinium p-toluenesulfonate
CID 171631
4-Pyridin-3-ylbenzenesulfonamide
CID 110453853
2-(4-(Methylsulfonyl)phenyl)pyridine
CID 46937403
4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 24884859
2,4,6-trimethyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 676052
4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 688002

Frequently Asked Questions

What is the IUPAC name of 4-[3,3-difluoro-5-(6-fluoro-3-pyridinyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3,3-difluoro-5-(6-fluoro-3-pyridinyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide (CID 23370535) is 4-[3,3-difluoro-5-(6-fluoro-3-pyridinyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3,3-difluoro-5-(6-fluoro-3-pyridinyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3,3-difluoro-5-(6-fluoro-3-pyridinyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2=CC(F)(F)C=C2c2ccc(F)nc2)cc1.
What is the InChIKey of 4-[3,3-difluoro-5-(6-fluoro-3-pyridinyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
The InChIKey is WDHYOEQYDXHOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S/c17-15-6-3-11(9-21-15)14-8-16(18,19)7-13(14)10-1-4-12(5-2-10)24(20,22)23/h1-9H,(H2,20,22,23).
What are the key properties of 4-[3,3-difluoro-5-(6-fluoro-3-pyridinyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide?
4-[3,3-difluoro-5-(6-fluoro-3-pyridinyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide has a molecular weight of 352.34 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-difluoro-5-(6-fluoro-3-pyridinyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide is sourced from PubChem (CID 23370535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).