N-(8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,5-dimethylbenzenesulfonamide

C24H29NO3S — CID 4303066

IUPACN-(8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)CC(C(C)(C)C)CC4)c1
InChIInChI=1S/C24H29NO3S/c1-15-6-7-16(2)23(12-15)29(26,27)25-18-9-11-22-20(14-18)19-13-17(24(3,4)5)8-10-21(19)28-22/h6-7,9,11-12,14,17,25H,8,10,13H2,1-5H3
InChIKeyMBZNDJBKZOWREV-UHFFFAOYSA-N
MW411.57 g/mol
LogP6.00
Rot. Bonds3

About N-(8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,5-dimethylbenzenesulfonamide

N-(8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,5-dimethylbenzenesulfonamide (PubChem CID 4303066) has the molecular formula C24H29NO3S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-(8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,5-dimethylbenzenesulfonamide
PubChem CID4303066
Molecular FormulaC24H29NO3S
Molecular Weight411.57 g/mol
Exact Mass411.19
IUPAC NameN-(8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)CC(C(C)(C)C)CC4)c1
InChIInChI=1S/C24H29NO3S/c1-15-6-7-16(2)23(12-15)29(26,27)25-18-9-11-22-20(14-18)19-13-17(24(3,4)5)8-10-21(19)28-22/h6-7,9,11-12,14,17,25H,8,10,13H2,1-5H3
InChIKeyMBZNDJBKZOWREV-UHFFFAOYSA-N
XLogP6.00
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.57
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 2133839
2,5-dimethyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 1184157
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
2-methyl-N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 7064459
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2,5-dimethylbenzenesulfonamide
CID 1110209
2,4,6-trimethyl-N-[(7S)-7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 7559471
N-[(8S)-8-(2-methylbutan-2-yl)-6,7,8,9-tetrahydrodibenzofuran-2-yl]quinoline-8-sulfonamide
CID 7934673
4-tert-butyl-N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 5045363

Frequently Asked Questions

What is the IUPAC name of N-(8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,5-dimethylbenzenesulfonamide (CID 4303066) is N-(8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)CC(C(C)(C)C)CC4)c1.
What is the InChIKey of N-(8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is MBZNDJBKZOWREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3S/c1-15-6-7-16(2)23(12-15)29(26,27)25-18-9-11-22-20(14-18)19-13-17(24(3,4)5)8-10-21(19)28-22/h6-7,9,11-12,14,17,25H,8,10,13H2,1-5H3.
What are the key properties of N-(8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,5-dimethylbenzenesulfonamide?
N-(8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 411.57 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 4303066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).