4-tert-butyl-N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide

C23H27NO3S — CID 5045363

IUPAC4-tert-butyl-N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
SMILESCC1CCc2c(oc3ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc23)C1
InChIInChI=1S/C23H27NO3S/c1-15-5-11-19-20-14-17(8-12-21(20)27-22(19)13-15)24-28(25,26)18-9-6-16(7-10-18)23(2,3)4/h6-10,12,14-15,24H,5,11,13H2,1-4H3
InChIKeyKDDLOGMWBJJHDX-UHFFFAOYSA-N
MW397.54 g/mol
LogP5.66
Rot. Bonds3

About 4-tert-butyl-N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide

4-tert-butyl-N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide (PubChem CID 5045363) has the molecular formula C23H27NO3S and a molecular weight of 397.54 g/mol. Its IUPAC name is 4-tert-butyl-N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
PubChem CID5045363
Molecular FormulaC23H27NO3S
Molecular Weight397.54 g/mol
Exact Mass397.17
IUPAC Name4-tert-butyl-N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
SMILESCC1CCc2c(oc3ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc23)C1
InChIInChI=1S/C23H27NO3S/c1-15-5-11-19-20-14-17(8-12-21(20)27-22(19)13-15)24-28(25,26)18-9-6-16(7-10-18)23(2,3)4/h6-10,12,14-15,24H,5,11,13H2,1-4H3
InChIKeyKDDLOGMWBJJHDX-UHFFFAOYSA-N
XLogP5.66
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 ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-propan-2-ylbenzenesulfonamide
CID 25044237
2,4,6-trimethyl-N-[(7S)-7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 7559471
4-methoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 992568
4-ethoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 1183850
N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]naphthalene-2-sulfonamide
CID 1183851
2-methyl-N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 7064459
N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-ethylbenzenesulfonamide
CID 7312208
N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-3-nitrobenzenesulfonamide
CID 7493213
4-chloro-3-methyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 4826401
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-methylbenzenesulfonamide
CID 7559465

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide (CID 5045363) is 4-tert-butyl-N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide is CC1CCc2c(oc3ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc23)C1.
What is the InChIKey of 4-tert-butyl-N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
The InChIKey is KDDLOGMWBJJHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3S/c1-15-5-11-19-20-14-17(8-12-21(20)27-22(19)13-15)24-28(25,26)18-9-6-16(7-10-18)23(2,3)4/h6-10,12,14-15,24H,5,11,13H2,1-4H3.
What are the key properties of 4-tert-butyl-N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
4-tert-butyl-N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide has a molecular weight of 397.54 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide is sourced from PubChem (CID 5045363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).