N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-3-nitrobenzenesulfonamide

C19H15N3O5S — CID 155511469

IUPACN-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)N/N=C(\c2ccccc2)c2ccc(O)cc2)c1
InChIInChI=1S/C19H15N3O5S/c23-17-11-9-15(10-12-17)19(14-5-2-1-3-6-14)20-21-28(26,27)18-8-4-7-16(13-18)22(24)25/h1-13,21,23H/b20-19+
InChIKeyYGKJIAFAFOPKCR-FMQUCBEESA-N
MW397.41 g/mol
LogP3.03
Rot. Bonds6

About N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-3-nitrobenzenesulfonamide

N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-3-nitrobenzenesulfonamide (PubChem CID 155511469) has the molecular formula C19H15N3O5S and a molecular weight of 397.41 g/mol. Its IUPAC name is N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-3-nitrobenzenesulfonamide
PubChem CID155511469
Molecular FormulaC19H15N3O5S
Molecular Weight397.41 g/mol
Exact Mass397.07
IUPAC NameN-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)N/N=C(\c2ccccc2)c2ccc(O)cc2)c1
InChIInChI=1S/C19H15N3O5S/c23-17-11-9-15(10-12-17)19(14-5-2-1-3-6-14)20-21-28(26,27)18-8-4-7-16(13-18)22(24)25/h1-13,21,23H/b20-19+
InChIKeyYGKJIAFAFOPKCR-FMQUCBEESA-N
XLogP3.03
TPSA121.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-3-nitrobenzenesulfonamide?
The IUPAC name of N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-3-nitrobenzenesulfonamide (CID 155511469) is N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-3-nitrobenzenesulfonamide?
The canonical SMILES for N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-3-nitrobenzenesulfonamide is O=[N+]([O-])c1cccc(S(=O)(=O)N/N=C(\c2ccccc2)c2ccc(O)cc2)c1.
What is the InChIKey of N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-3-nitrobenzenesulfonamide?
The InChIKey is YGKJIAFAFOPKCR-FMQUCBEESA-N. The full InChI is InChI=1S/C19H15N3O5S/c23-17-11-9-15(10-12-17)19(14-5-2-1-3-6-14)20-21-28(26,27)18-8-4-7-16(13-18)22(24)25/h1-13,21,23H/b20-19+.
What are the key properties of N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-3-nitrobenzenesulfonamide?
N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-3-nitrobenzenesulfonamide has a molecular weight of 397.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-3-nitrobenzenesulfonamide is sourced from PubChem (CID 155511469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).