N-[(4-fluorophenyl)methoxy]-1-benzofuran-2-sulfonamide

C15H12FNO4S — CID 129056895

IUPACN-[(4-fluorophenyl)methoxy]-1-benzofuran-2-sulfonamide
SMILESO=S(=O)(NOCc1ccc(F)cc1)c1cc2ccccc2o1
InChIInChI=1S/C15H12FNO4S/c16-13-7-5-11(6-8-13)10-20-17-22(18,19)15-9-12-3-1-2-4-14(12)21-15/h1-9,17H,10H2
InChIKeyACKUCLSWUVEGNH-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.98
Rot. Bonds5

About N-[(4-fluorophenyl)methoxy]-1-benzofuran-2-sulfonamide

N-[(4-fluorophenyl)methoxy]-1-benzofuran-2-sulfonamide (PubChem CID 129056895) has the molecular formula C15H12FNO4S and a molecular weight of 321.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methoxy]-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methoxy]-1-benzofuran-2-sulfonamide
PubChem CID129056895
Molecular FormulaC15H12FNO4S
Molecular Weight321.33 g/mol
Exact Mass321.05
IUPAC NameN-[(4-fluorophenyl)methoxy]-1-benzofuran-2-sulfonamide
SMILESO=S(=O)(NOCc1ccc(F)cc1)c1cc2ccccc2o1
InChIInChI=1S/C15H12FNO4S/c16-13-7-5-11(6-8-13)10-20-17-22(18,19)15-9-12-3-1-2-4-14(12)21-15/h1-9,17H,10H2
InChIKeyACKUCLSWUVEGNH-UHFFFAOYSA-N
XLogP2.98
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Benzofuran-2-Sulfonamide
CID 10750432
4-(1-Benzofuran-2-yl)benzenesulfonamide
CID 127029022
5-Methoxy-1-benzofuran-2-sulfonamide
CID 13504187
Dibenzofuran-2-sulphonic acid
CID 522803
N-[2-(2,2,2-trifluoroethoxy)ethyl]dibenzo[b,d]furan-2-sulfonamide
CID 2972762
[4-(1-Benzofuran-5-yl)phenyl] 4-fluorobenzenesulfonate
CID 155519083
2-(4-Fluorophenyl)-3-(4-methylsulfonylphenyl)-1-benzofuran
CID 155536520
[4-(1-Benzofuran-5-yl)phenyl] benzenesulfonate
CID 155556148
3-(3-Fluoro-4-methoxy-phenyl)-2-(4-methanesulfonyl-phenyl)-benzofuran
CID 44316044
8-Oxatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),3,5,10,12-hexaene-4-sulfonyl chloride
CID 2758030
N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]dibenzo[b,d]furan-2-sulfonamide
CID 3236646
4-(2-Furanyl)benzenesulfonamide
CID 18461612

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methoxy]-1-benzofuran-2-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methoxy]-1-benzofuran-2-sulfonamide (CID 129056895) is N-[(4-fluorophenyl)methoxy]-1-benzofuran-2-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methoxy]-1-benzofuran-2-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methoxy]-1-benzofuran-2-sulfonamide is O=S(=O)(NOCc1ccc(F)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[(4-fluorophenyl)methoxy]-1-benzofuran-2-sulfonamide?
The InChIKey is ACKUCLSWUVEGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4S/c16-13-7-5-11(6-8-13)10-20-17-22(18,19)15-9-12-3-1-2-4-14(12)21-15/h1-9,17H,10H2.
What are the key properties of N-[(4-fluorophenyl)methoxy]-1-benzofuran-2-sulfonamide?
N-[(4-fluorophenyl)methoxy]-1-benzofuran-2-sulfonamide has a molecular weight of 321.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methoxy]-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 129056895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).