N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-methoxybenzenesulfonamide

C20H18N2O4S — CID 155567314

IUPACN-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C20H18N2O4S/c1-26-18-11-13-19(14-12-18)27(24,25)22-21-20(15-5-3-2-4-6-15)16-7-9-17(23)10-8-16/h2-14,22-23H,1H3/b21-20+
InChIKeyBDBGHPMFNSTXPR-QZQOTICOSA-N
MW382.44 g/mol
LogP3.13
Rot. Bonds6

About N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-methoxybenzenesulfonamide

N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-methoxybenzenesulfonamide (PubChem CID 155567314) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-methoxybenzenesulfonamide
PubChem CID155567314
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC NameN-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C20H18N2O4S/c1-26-18-11-13-19(14-12-18)27(24,25)22-21-20(15-5-3-2-4-6-15)16-7-9-17(23)10-8-16/h2-14,22-23H,1H3/b21-20+
InChIKeyBDBGHPMFNSTXPR-QZQOTICOSA-N
XLogP3.13
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-methoxybenzenesulfonamide (CID 155567314) is N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-methoxybenzenesulfonamide?
The InChIKey is BDBGHPMFNSTXPR-QZQOTICOSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-26-18-11-13-19(14-12-18)27(24,25)22-21-20(15-5-3-2-4-6-15)16-7-9-17(23)10-8-16/h2-14,22-23H,1H3/b21-20+.
What are the key properties of N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-methoxybenzenesulfonamide?
N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-methoxybenzenesulfonamide has a molecular weight of 382.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 155567314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).