N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]naphthalene-2-sulfonamide

C23H21NO3S — CID 1183851

IUPACN-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]naphthalene-2-sulfonamide
SMILESC[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3c2C1
InChIInChI=1S/C23H21NO3S/c1-15-6-10-22-20(12-15)21-14-18(8-11-23(21)27-22)24-28(25,26)19-9-7-16-4-2-3-5-17(16)13-19/h2-5,7-9,11,13-15,24H,6,10,12H2,1H3/t15-/m0/s1
InChIKeyCRSCZSGFZRTBOU-HNNXBMFYSA-N
MW391.49 g/mol
LogP5.51
Rot. Bonds3

About N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]naphthalene-2-sulfonamide

N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]naphthalene-2-sulfonamide (PubChem CID 1183851) has the molecular formula C23H21NO3S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]naphthalene-2-sulfonamide
PubChem CID1183851
Molecular FormulaC23H21NO3S
Molecular Weight391.49 g/mol
Exact Mass391.12
IUPAC NameN-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]naphthalene-2-sulfonamide
SMILESC[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3c2C1
InChIInChI=1S/C23H21NO3S/c1-15-6-10-22-20(12-15)21-14-18(8-11-23(21)27-22)24-28(25,26)19-9-7-16-4-2-3-5-17(16)13-19/h2-5,7-9,11,13-15,24H,6,10,12H2,1H3/t15-/m0/s1
InChIKeyCRSCZSGFZRTBOU-HNNXBMFYSA-N
XLogP5.51
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.49
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]naphthalene-2-sulfonamide (CID 1183851) is N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]naphthalene-2-sulfonamide is C[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3c2C1.
What is the InChIKey of N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]naphthalene-2-sulfonamide?
The InChIKey is CRSCZSGFZRTBOU-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H21NO3S/c1-15-6-10-22-20(12-15)21-14-18(8-11-23(21)27-22)24-28(25,26)19-9-7-16-4-2-3-5-17(16)13-19/h2-5,7-9,11,13-15,24H,6,10,12H2,1H3/t15-/m0/s1.
What are the key properties of N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]naphthalene-2-sulfonamide?
N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]naphthalene-2-sulfonamide has a molecular weight of 391.49 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 1183851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).