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

C20H21NO3S — CID 7064459

IUPAC2-methyl-N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)C[C@H](C)CC3
InChIInChI=1S/C20H21NO3S/c1-13-7-9-18-16(11-13)17-12-15(8-10-19(17)24-18)21-25(22,23)20-6-4-3-5-14(20)2/h3-6,8,10,12-13,21H,7,9,11H2,1-2H3/t13-/m1/s1
InChIKeyLVBUNDYHYWPPRR-CYBMUJFWSA-N
MW355.46 g/mol
LogP4.67
Rot. Bonds3

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

2-methyl-N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide (PubChem CID 7064459) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-methyl-N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
PubChem CID7064459
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC Name2-methyl-N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)C[C@H](C)CC3
InChIInChI=1S/C20H21NO3S/c1-13-7-9-18-16(11-13)17-12-15(8-10-19(17)24-18)21-25(22,23)20-6-4-3-5-14(20)2/h3-6,8,10,12-13,21H,7,9,11H2,1-2H3/t13-/m1/s1
InChIKeyLVBUNDYHYWPPRR-CYBMUJFWSA-N
XLogP4.67
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-methylbenzenesulfonamide
CID 7559465
N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]naphthalene-2-sulfonamide
CID 1183851
4-ethoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 1183850
4-methoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 992568
2,4,6-trimethyl-N-[(7S)-7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 7559471
N-(8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,5-dimethylbenzenesulfonamide
CID 4303066
N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-3-nitrobenzenesulfonamide
CID 7493213
N-[(8S)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 2133839
4-tert-butyl-N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 5045363
2-methyl-N-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
CID 4873389
2,5-dimethyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 1184157
2-methyl-N-[(8R)-8-(2-methylbutan-2-yl)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-5-nitrobenzenesulfonamide
CID 40893831

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide (CID 7064459) is 2-methyl-N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)C[C@H](C)CC3.
What is the InChIKey of 2-methyl-N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide?
The InChIKey is LVBUNDYHYWPPRR-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-13-7-9-18-16(11-13)17-12-15(8-10-19(17)24-18)21-25(22,23)20-6-4-3-5-14(20)2/h3-6,8,10,12-13,21H,7,9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-methyl-N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide?
2-methyl-N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide is sourced from PubChem (CID 7064459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).