N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-methylbenzenesulfonamide

C23H27NO3S — CID 7559465

IUPACN-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)C[C@H](C(C)(C)C)CC3
InChIInChI=1S/C23H27NO3S/c1-15-7-5-6-8-22(15)28(25,26)24-17-10-12-21-19(14-17)18-13-16(23(2,3)4)9-11-20(18)27-21/h5-8,10,12,14,16,24H,9,11,13H2,1-4H3/t16-/m1/s1
InChIKeyZVPUERQKWGKYET-MRXNPFEDSA-N
MW397.54 g/mol
LogP5.69
Rot. Bonds3

About N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-methylbenzenesulfonamide

N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-methylbenzenesulfonamide (PubChem CID 7559465) has the molecular formula C23H27NO3S and a molecular weight of 397.54 g/mol. Its IUPAC name is N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-methylbenzenesulfonamide
PubChem CID7559465
Molecular FormulaC23H27NO3S
Molecular Weight397.54 g/mol
Exact Mass397.17
IUPAC NameN-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)C[C@H](C(C)(C)C)CC3
InChIInChI=1S/C23H27NO3S/c1-15-7-5-6-8-22(15)28(25,26)24-17-10-12-21-19(14-17)18-13-16(23(2,3)4)9-11-20(18)27-21/h5-8,10,12,14,16,24H,9,11,13H2,1-4H3/t16-/m1/s1
InChIKeyZVPUERQKWGKYET-MRXNPFEDSA-N
XLogP5.69
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.54
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,5-dimethylbenzenesulfonamide
CID 4303066
2-methyl-N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 7064459
N-[(8S)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 2133839
N-(8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,4,5-trichlorobenzenesulfonamide
CID 25043002
N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,5-dichlorobenzenesulfonamide
CID 1183848
N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-ethylbenzenesulfonamide
CID 7312208
2-methyl-N-[(8R)-8-(2-methylbutan-2-yl)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-5-nitrobenzenesulfonamide
CID 40893831
N-[(8S)-8-(2-methylbutan-2-yl)-6,7,8,9-tetrahydrodibenzofuran-2-yl]quinoline-8-sulfonamide
CID 7934673
N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]naphthalene-2-sulfonamide
CID 1183851
2,5-dimethyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 1184157
2,4,6-trimethyl-N-[(7S)-7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 7559471
4-ethoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 1183850

Frequently Asked Questions

What is the IUPAC name of N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-methylbenzenesulfonamide (CID 7559465) is N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)C[C@H](C(C)(C)C)CC3.
What is the InChIKey of N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-methylbenzenesulfonamide?
The InChIKey is ZVPUERQKWGKYET-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27NO3S/c1-15-7-5-6-8-22(15)28(25,26)24-17-10-12-21-19(14-17)18-13-16(23(2,3)4)9-11-20(18)27-21/h5-8,10,12,14,16,24H,9,11,13H2,1-4H3/t16-/m1/s1.
What are the key properties of N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-methylbenzenesulfonamide?
N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-methylbenzenesulfonamide has a molecular weight of 397.54 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 7559465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).