4-fluoro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide

C18H16FNO3S — CID 682743

IUPAC4-fluoro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2oc3c(c2c1)CCCC3)c1ccc(F)cc1
InChIInChI=1S/C18H16FNO3S/c19-12-5-8-14(9-6-12)24(21,22)20-13-7-10-18-16(11-13)15-3-1-2-4-17(15)23-18/h5-11,20H,1-4H2
InChIKeyIKMWWDMIVJQTHN-UHFFFAOYSA-N
MW345.39 g/mol
LogP4.25
Rot. Bonds3

About 4-fluoro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide

4-fluoro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide (PubChem CID 682743) has the molecular formula C18H16FNO3S and a molecular weight of 345.39 g/mol. Its IUPAC name is 4-fluoro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
PubChem CID682743
Molecular FormulaC18H16FNO3S
Molecular Weight345.39 g/mol
Exact Mass345.08
IUPAC Name4-fluoro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2oc3c(c2c1)CCCC3)c1ccc(F)cc1
InChIInChI=1S/C18H16FNO3S/c19-12-5-8-14(9-6-12)24(21,22)20-13-7-10-18-16(11-13)15-3-1-2-4-17(15)23-18/h5-11,20H,1-4H2
InChIKeyIKMWWDMIVJQTHN-UHFFFAOYSA-N
XLogP4.25
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide (CID 682743) is 4-fluoro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2oc3c(c2c1)CCCC3)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
The InChIKey is IKMWWDMIVJQTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3S/c19-12-5-8-14(9-6-12)24(21,22)20-13-7-10-18-16(11-13)15-3-1-2-4-17(15)23-18/h5-11,20H,1-4H2.
What are the key properties of 4-fluoro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
4-fluoro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide has a molecular weight of 345.39 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide is sourced from PubChem (CID 682743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).