N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-propan-2-ylbenzenesulfonamide

C22H25NO3S — CID 25044237

IUPACN-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCC1CCc2c(oc3ccc(NS(=O)(=O)c4ccc(C(C)C)cc4)cc23)C1
InChIInChI=1S/C22H25NO3S/c1-14(2)16-5-8-18(9-6-16)27(24,25)23-17-7-11-21-20(13-17)19-10-4-15(3)12-22(19)26-21/h5-9,11,13-15,23H,4,10,12H2,1-3H3
InChIKeyOIFRJKOSXGAXBL-UHFFFAOYSA-N
MW383.51 g/mol
LogP5.48
Rot. Bonds4

About N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-propan-2-ylbenzenesulfonamide

N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 25044237) has the molecular formula C22H25NO3S and a molecular weight of 383.51 g/mol. Its IUPAC name is N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-propan-2-ylbenzenesulfonamide
PubChem CID25044237
Molecular FormulaC22H25NO3S
Molecular Weight383.51 g/mol
Exact Mass383.16
IUPAC NameN-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCC1CCc2c(oc3ccc(NS(=O)(=O)c4ccc(C(C)C)cc4)cc23)C1
InChIInChI=1S/C22H25NO3S/c1-14(2)16-5-8-18(9-6-16)27(24,25)23-17-7-11-21-20(13-17)19-10-4-15(3)12-22(19)26-21/h5-9,11,13-15,23H,4,10,12H2,1-3H3
InChIKeyOIFRJKOSXGAXBL-UHFFFAOYSA-N
XLogP5.48
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.51
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-propan-2-ylbenzenesulfonamide (CID 25044237) is N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-propan-2-ylbenzenesulfonamide is CC1CCc2c(oc3ccc(NS(=O)(=O)c4ccc(C(C)C)cc4)cc23)C1.
What is the InChIKey of N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is OIFRJKOSXGAXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3S/c1-14(2)16-5-8-18(9-6-16)27(24,25)23-17-7-11-21-20(13-17)19-10-4-15(3)12-22(19)26-21/h5-9,11,13-15,23H,4,10,12H2,1-3H3.
What are the key properties of N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-propan-2-ylbenzenesulfonamide?
N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 383.51 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 25044237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).