2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride

C10H7ClF5NO3S — CID 106295727

IUPAC2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
SMILESO=C(NCC(F)(F)C(F)F)c1ccc(F)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C10H7ClF5NO3S/c11-21(19,20)7-3-5(1-2-6(7)12)8(18)17-4-10(15,16)9(13)14/h1-3,9H,4H2,(H,17,18)
InChIKeyAUGHCNYHVZMETL-UHFFFAOYSA-N
MW351.68 g/mol
LogP2.38
Rot. Bonds5

About 2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride

2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride (PubChem CID 106295727) has the molecular formula C10H7ClF5NO3S and a molecular weight of 351.68 g/mol. Its IUPAC name is 2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
PubChem CID106295727
Molecular FormulaC10H7ClF5NO3S
Molecular Weight351.68 g/mol
Exact Mass350.98
IUPAC Name2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
SMILESO=C(NCC(F)(F)C(F)F)c1ccc(F)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C10H7ClF5NO3S/c11-21(19,20)7-3-5(1-2-6(7)12)8(18)17-4-10(15,16)9(13)14/h1-3,9H,4H2,(H,17,18)
InChIKeyAUGHCNYHVZMETL-UHFFFAOYSA-N
XLogP2.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.68
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
CID 106295733
2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65371621
2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 43523684
3-bromo-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
CID 106292523
2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)furan-3-sulfonyl chloride
CID 106295734
2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528381
N-(2,2,3,3-tetrafluoropropyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 106293073
2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65371150
4-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103577982
4-(bromomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106290959
5-carbamoyl-2-fluorobenzenesulfonyl chloride
CID 65368033
2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide
CID 103528324

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride (CID 106295727) is 2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride is O=C(NCC(F)(F)C(F)F)c1ccc(F)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is AUGHCNYHVZMETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF5NO3S/c11-21(19,20)7-3-5(1-2-6(7)12)8(18)17-4-10(15,16)9(13)14/h1-3,9H,4H2,(H,17,18).
What are the key properties of 2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride?
2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 351.68 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 106295727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).