N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-3-nitrobenzenesulfonamide

C19H18N2O5S — CID 7493213

IUPACN-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-3-nitrobenzenesulfonamide
SMILESC[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3c2C1
InChIInChI=1S/C19H18N2O5S/c1-12-5-7-18-16(9-12)17-10-13(6-8-19(17)26-18)20-27(24,25)15-4-2-3-14(11-15)21(22)23/h2-4,6,8,10-12,20H,5,7,9H2,1H3/t12-/m1/s1
InChIKeyQHAPFIFOVVNXDE-GFCCVEGCSA-N
MW386.43 g/mol
LogP4.27
Rot. Bonds4

About N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-3-nitrobenzenesulfonamide

N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-3-nitrobenzenesulfonamide (PubChem CID 7493213) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-3-nitrobenzenesulfonamide
PubChem CID7493213
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC NameN-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-3-nitrobenzenesulfonamide
SMILESC[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3c2C1
InChIInChI=1S/C19H18N2O5S/c1-12-5-7-18-16(9-12)17-10-13(6-8-19(17)26-18)20-27(24,25)15-4-2-3-14(11-15)21(22)23/h2-4,6,8,10-12,20H,5,7,9H2,1H3/t12-/m1/s1
InChIKeyQHAPFIFOVVNXDE-GFCCVEGCSA-N
XLogP4.27
TPSA102.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-3-nitrobenzenesulfonamide?
The IUPAC name of N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-3-nitrobenzenesulfonamide (CID 7493213) is N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-3-nitrobenzenesulfonamide?
The canonical SMILES for N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-3-nitrobenzenesulfonamide is C[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3c2C1.
What is the InChIKey of N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-3-nitrobenzenesulfonamide?
The InChIKey is QHAPFIFOVVNXDE-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-12-5-7-18-16(9-12)17-10-13(6-8-19(17)26-18)20-27(24,25)15-4-2-3-14(11-15)21(22)23/h2-4,6,8,10-12,20H,5,7,9H2,1H3/t12-/m1/s1.
What are the key properties of N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-3-nitrobenzenesulfonamide?
N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-3-nitrobenzenesulfonamide has a molecular weight of 386.43 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-3-nitrobenzenesulfonamide is sourced from PubChem (CID 7493213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).