N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,5-dichlorobenzenesulfonamide

C22H23Cl2NO3S — CID 1183848

IUPACN-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,5-dichlorobenzenesulfonamide
SMILESCC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc3c2C1
InChIInChI=1S/C22H23Cl2NO3S/c1-22(2,3)13-4-8-19-16(10-13)17-12-15(6-9-20(17)28-19)25-29(26,27)21-11-14(23)5-7-18(21)24/h5-7,9,11-13,25H,4,8,10H2,1-3H3/t13-/m1/s1
InChIKeyXSDQVGQIZKDGDN-CYBMUJFWSA-N
MW452.40 g/mol
LogP6.69
Rot. Bonds3

About N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,5-dichlorobenzenesulfonamide

N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,5-dichlorobenzenesulfonamide (PubChem CID 1183848) has the molecular formula C22H23Cl2NO3S and a molecular weight of 452.40 g/mol. Its IUPAC name is N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,5-dichlorobenzenesulfonamide
PubChem CID1183848
Molecular FormulaC22H23Cl2NO3S
Molecular Weight452.40 g/mol
Exact Mass451.08
IUPAC NameN-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,5-dichlorobenzenesulfonamide
SMILESCC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc3c2C1
InChIInChI=1S/C22H23Cl2NO3S/c1-22(2,3)13-4-8-19-16(10-13)17-12-15(6-9-20(17)28-19)25-29(26,27)21-11-14(23)5-7-18(21)24/h5-7,9,11-13,25H,4,8,10H2,1-3H3/t13-/m1/s1
InChIKeyXSDQVGQIZKDGDN-CYBMUJFWSA-N
XLogP6.69
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.40
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,5-dichlorobenzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

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-methylbenzenesulfonamide
CID 7559465
N-(8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,5-dimethylbenzenesulfonamide
CID 4303066
N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-ethylbenzenesulfonamide
CID 7312208
N-[(8S)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 2133839
2-methyl-N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 7064459
N-[(8S)-8-(2-methylbutan-2-yl)-6,7,8,9-tetrahydrodibenzofuran-2-yl]quinoline-8-sulfonamide
CID 7934673
2-methyl-N-[(8R)-8-(2-methylbutan-2-yl)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-5-nitrobenzenesulfonamide
CID 40893831
4-chloro-3-methyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 4826401
2-methoxyethyl 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 2887999
4-tert-butyl-N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 5045363
4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
CID 776763

Frequently Asked Questions

What is the IUPAC name of N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,5-dichlorobenzenesulfonamide?
The IUPAC name of N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,5-dichlorobenzenesulfonamide (CID 1183848) is N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,5-dichlorobenzenesulfonamide is CC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc3c2C1.
What is the InChIKey of N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,5-dichlorobenzenesulfonamide?
The InChIKey is XSDQVGQIZKDGDN-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H23Cl2NO3S/c1-22(2,3)13-4-8-19-16(10-13)17-12-15(6-9-20(17)28-19)25-29(26,27)21-11-14(23)5-7-18(21)24/h5-7,9,11-13,25H,4,8,10H2,1-3H3/t13-/m1/s1.
What are the key properties of N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,5-dichlorobenzenesulfonamide?
N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,5-dichlorobenzenesulfonamide has a molecular weight of 452.40 g/mol, XLogP of 6.69, 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]-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 1183848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).