N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-4-methylbenzenesulfonamide

C20H20N2O4S — CID 135473333

IUPACN-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2c(O)ccc3oc4c(c23)CCCC4)cc1
InChIInChI=1S/C20H20N2O4S/c1-13-6-8-14(9-7-13)27(24,25)22-21-12-16-17(23)10-11-19-20(16)15-4-2-3-5-18(15)26-19/h6-12,22-23H,2-5H2,1H3/b21-12+
InChIKeyHXGSHKUNFKEFBB-CIAFOILYSA-N
MW384.46 g/mol
LogP3.64
Rot. Bonds4

About N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-4-methylbenzenesulfonamide

N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 135473333) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID135473333
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC NameN-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2c(O)ccc3oc4c(c23)CCCC4)cc1
InChIInChI=1S/C20H20N2O4S/c1-13-6-8-14(9-7-13)27(24,25)22-21-12-16-17(23)10-11-19-20(16)15-4-2-3-5-18(15)26-19/h6-12,22-23H,2-5H2,1H3/b21-12+
InChIKeyHXGSHKUNFKEFBB-CIAFOILYSA-N
XLogP3.64
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]benzoic acid
CID 742149
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 135541690
1-[(E)-2-nitroethenyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ol
CID 10912680
4-methyl-N-[(E)-5,6,7,8-tetrahydronaphthalen-2-ylmethylideneamino]benzenesulfonamide
CID 164667639
3,6-dichloro-N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 135822006
N-[(E)-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 135822119
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 135783691
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6042730
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 136774445
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide
CID 135647638
[1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
CID 6264639
[(4-methylphenyl)sulfonylhydrazinylidene]methanesulfinic acid
CID 162411258

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-4-methylbenzenesulfonamide (CID 135473333) is N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/c2c(O)ccc3oc4c(c23)CCCC4)cc1.
What is the InChIKey of N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is HXGSHKUNFKEFBB-CIAFOILYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-13-6-8-14(9-7-13)27(24,25)22-21-12-16-17(23)10-11-19-20(16)15-4-2-3-5-18(15)26-19/h6-12,22-23H,2-5H2,1H3/b21-12+.
What are the key properties of N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 384.46 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 135473333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).