N-[(8S)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-methylbenzenesulfonamide

C23H26FNO3S — CID 2133839

IUPACN-[(8S)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)C[C@@H](C(C)(C)C)CC3
InChIInChI=1S/C23H26FNO3S/c1-14-11-16(24)6-10-22(14)29(26,27)25-17-7-9-21-19(13-17)18-12-15(23(2,3)4)5-8-20(18)28-21/h6-7,9-11,13,15,25H,5,8,12H2,1-4H3/t15-/m0/s1
InChIKeyBELJGJNUIDGSSD-HNNXBMFYSA-N
MW415.53 g/mol
LogP5.83
Rot. Bonds3

About N-[(8S)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-methylbenzenesulfonamide

N-[(8S)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 2133839) has the molecular formula C23H26FNO3S and a molecular weight of 415.53 g/mol. Its IUPAC name is N-[(8S)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(8S)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID2133839
Molecular FormulaC23H26FNO3S
Molecular Weight415.53 g/mol
Exact Mass415.16
IUPAC NameN-[(8S)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)C[C@@H](C(C)(C)C)CC3
InChIInChI=1S/C23H26FNO3S/c1-14-11-16(24)6-10-22(14)29(26,27)25-17-7-9-21-19(13-17)18-12-15(23(2,3)4)5-8-20(18)28-21/h6-7,9-11,13,15,25H,5,8,12H2,1-4H3/t15-/m0/s1
InChIKeyBELJGJNUIDGSSD-HNNXBMFYSA-N
XLogP5.83
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.53
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(8S)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-methylbenzenesulfonamide 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-(8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,5-dimethylbenzenesulfonamide
CID 4303066
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]-4-ethylbenzenesulfonamide
CID 7312208
N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,5-dichlorobenzenesulfonamide
CID 1183848
2-methyl-N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 7064459
2-methyl-N-[(8R)-8-(2-methylbutan-2-yl)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-5-nitrobenzenesulfonamide
CID 40893831
propan-2-yl 5-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 7312242
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150
N-[(8S)-8-(2-methylbutan-2-yl)-6,7,8,9-tetrahydrodibenzofuran-2-yl]quinoline-8-sulfonamide
CID 7934673
N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 62317386
2,4,6-trimethyl-N-[(7S)-7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 7559471

Frequently Asked Questions

What is the IUPAC name of N-[(8S)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[(8S)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-methylbenzenesulfonamide (CID 2133839) is N-[(8S)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(8S)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(8S)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)C[C@@H](C(C)(C)C)CC3.
What is the InChIKey of N-[(8S)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is BELJGJNUIDGSSD-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H26FNO3S/c1-14-11-16(24)6-10-22(14)29(26,27)25-17-7-9-21-19(13-17)18-12-15(23(2,3)4)5-8-20(18)28-21/h6-7,9-11,13,15,25H,5,8,12H2,1-4H3/t15-/m0/s1.
What are the key properties of N-[(8S)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-methylbenzenesulfonamide?
N-[(8S)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 415.53 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8S)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 2133839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).