5-chloro-N-(3-fluoropropyl)-2,3-dihydro-1-benzofuran-7-sulfonamide

C11H13ClFNO3S — CID 75454689

IUPAC5-chloro-N-(3-fluoropropyl)-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESO=S(=O)(NCCCF)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C11H13ClFNO3S/c12-9-6-8-2-5-17-11(8)10(7-9)18(15,16)14-4-1-3-13/h6-7,14H,1-5H2
InChIKeyCELUTRYHIASJOI-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.91
Rot. Bonds5

About 5-chloro-N-(3-fluoropropyl)-2,3-dihydro-1-benzofuran-7-sulfonamide

5-chloro-N-(3-fluoropropyl)-2,3-dihydro-1-benzofuran-7-sulfonamide (PubChem CID 75454689) has the molecular formula C11H13ClFNO3S and a molecular weight of 293.75 g/mol. Its IUPAC name is 5-chloro-N-(3-fluoropropyl)-2,3-dihydro-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-fluoropropyl)-2,3-dihydro-1-benzofuran-7-sulfonamide
PubChem CID75454689
Molecular FormulaC11H13ClFNO3S
Molecular Weight293.75 g/mol
Exact Mass293.03
IUPAC Name5-chloro-N-(3-fluoropropyl)-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESO=S(=O)(NCCCF)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C11H13ClFNO3S/c12-9-6-8-2-5-17-11(8)10(7-9)18(15,16)14-4-1-3-13/h6-7,14H,1-5H2
InChIKeyCELUTRYHIASJOI-UHFFFAOYSA-N
XLogP1.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Chloro-2,3-dihydro-1-benzofuran-7-sulfonyl chloride
CID 75480629
3-chloro-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzenesulfonamide
CID 39656260
3-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzenesulfonamide
CID 39656261
3-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluorobenzenesulfonamide
CID 53530084
5-chloro-3-(hydroxymethyl)-2-methoxy-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 65738210
5-chloro-3-(hydroxymethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 65743646
5-chloro-3-(chloromethyl)-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 65753452
3-(aminomethyl)-5-chloro-2-methoxy-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 65799373
3-(aminomethyl)-5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 65800639
5-chloro-N-(2,2-difluoroethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 75520559
5-chloro-N-(2,2-difluoroethyl)-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 84600946
N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 113102631

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-fluoropropyl)-2,3-dihydro-1-benzofuran-7-sulfonamide?
The IUPAC name of 5-chloro-N-(3-fluoropropyl)-2,3-dihydro-1-benzofuran-7-sulfonamide (CID 75454689) is 5-chloro-N-(3-fluoropropyl)-2,3-dihydro-1-benzofuran-7-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-fluoropropyl)-2,3-dihydro-1-benzofuran-7-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-fluoropropyl)-2,3-dihydro-1-benzofuran-7-sulfonamide is O=S(=O)(NCCCF)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of 5-chloro-N-(3-fluoropropyl)-2,3-dihydro-1-benzofuran-7-sulfonamide?
The InChIKey is CELUTRYHIASJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO3S/c12-9-6-8-2-5-17-11(8)10(7-9)18(15,16)14-4-1-3-13/h6-7,14H,1-5H2.
What are the key properties of 5-chloro-N-(3-fluoropropyl)-2,3-dihydro-1-benzofuran-7-sulfonamide?
5-chloro-N-(3-fluoropropyl)-2,3-dihydro-1-benzofuran-7-sulfonamide has a molecular weight of 293.75 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-fluoropropyl)-2,3-dihydro-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 75454689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).