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

C21H23NO4S — CID 1183850

IUPAC4-ethoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C)CC4)cc1
InChIInChI=1S/C21H23NO4S/c1-3-25-16-6-8-17(9-7-16)27(23,24)22-15-5-11-21-19(13-15)18-12-14(2)4-10-20(18)26-21/h5-9,11,13-14,22H,3-4,10,12H2,1-2H3/t14-/m0/s1
InChIKeyJQDQOCDXPUSQIC-AWEZNQCLSA-N
MW385.49 g/mol
LogP4.76
Rot. Bonds5

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

4-ethoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide (PubChem CID 1183850) has the molecular formula C21H23NO4S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-ethoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
PubChem CID1183850
Molecular FormulaC21H23NO4S
Molecular Weight385.49 g/mol
Exact Mass385.13
IUPAC Name4-ethoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C)CC4)cc1
InChIInChI=1S/C21H23NO4S/c1-3-25-16-6-8-17(9-7-16)27(23,24)22-15-5-11-21-19(13-15)18-12-14(2)4-10-20(18)26-21/h5-9,11,13-14,22H,3-4,10,12H2,1-2H3/t14-/m0/s1
InChIKeyJQDQOCDXPUSQIC-AWEZNQCLSA-N
XLogP4.76
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide with MolForge

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Related Compounds

4-methoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 992568
2-methyl-N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 7064459
4-tert-butyl-N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 5045363
N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-propan-2-ylbenzenesulfonamide
CID 25044237
N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-ethylbenzenesulfonamide
CID 7312208
propan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 7013371
4-ethoxy-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide
CID 1079378
N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide
CID 975650
2,4,6-trimethyl-N-[(7S)-7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 7559471
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
4-bromo-N-(3,8-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 4856212
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide (CID 1183850) is 4-ethoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C)CC4)cc1.
What is the InChIKey of 4-ethoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide?
The InChIKey is JQDQOCDXPUSQIC-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23NO4S/c1-3-25-16-6-8-17(9-7-16)27(23,24)22-15-5-11-21-19(13-15)18-12-14(2)4-10-20(18)26-21/h5-9,11,13-14,22H,3-4,10,12H2,1-2H3/t14-/m0/s1.
What are the key properties of 4-ethoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide?
4-ethoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide is sourced from PubChem (CID 1183850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).