4-methoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide

C20H21NO4S — CID 992568

IUPAC4-methoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C)CC4)cc1
InChIInChI=1S/C20H21NO4S/c1-13-3-9-19-17(11-13)18-12-14(4-10-20(18)25-19)21-26(22,23)16-7-5-15(24-2)6-8-16/h4-8,10,12-13,21H,3,9,11H2,1-2H3/t13-/m0/s1
InChIKeyNYBDTHIQZSLAIF-ZDUSSCGKSA-N
MW371.46 g/mol
LogP4.37
Rot. Bonds4

About 4-methoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide

4-methoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide (PubChem CID 992568) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-methoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
PubChem CID992568
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC Name4-methoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C)CC4)cc1
InChIInChI=1S/C20H21NO4S/c1-13-3-9-19-17(11-13)18-12-14(4-10-20(18)25-19)21-26(22,23)16-7-5-15(24-2)6-8-16/h4-8,10,12-13,21H,3,9,11H2,1-2H3/t13-/m0/s1
InChIKeyNYBDTHIQZSLAIF-ZDUSSCGKSA-N
XLogP4.37
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide (CID 992568) is 4-methoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C)CC4)cc1.
What is the InChIKey of 4-methoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide?
The InChIKey is NYBDTHIQZSLAIF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-13-3-9-19-17(11-13)18-12-14(4-10-20(18)25-19)21-26(22,23)16-7-5-15(24-2)6-8-16/h4-8,10,12-13,21H,3,9,11H2,1-2H3/t13-/m0/s1.
What are the key properties of 4-methoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide?
4-methoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide is sourced from PubChem (CID 992568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).