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

C19H15N3O5S — CID 155512762

IUPACN-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N/N=C(\c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H15N3O5S/c23-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)20-21-28(26,27)18-12-8-16(9-13-18)22(24)25/h1-13,21,23H/b20-19+
InChIKeyIABGABHQOYYTAP-FMQUCBEESA-N
MW397.41 g/mol
LogP3.03
Rot. Bonds6

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

N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-nitrobenzenesulfonamide (PubChem CID 155512762) has the molecular formula C19H15N3O5S and a molecular weight of 397.41 g/mol. Its IUPAC name is N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-nitrobenzenesulfonamide
PubChem CID155512762
Molecular FormulaC19H15N3O5S
Molecular Weight397.41 g/mol
Exact Mass397.07
IUPAC NameN-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N/N=C(\c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H15N3O5S/c23-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)20-21-28(26,27)18-12-8-16(9-13-18)22(24)25/h1-13,21,23H/b20-19+
InChIKeyIABGABHQOYYTAP-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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Related Compounds

2-chloro-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]benzenesulfonamide
CID 155518237
[[(4-nitrophenyl)-phenylmethylidene]amino]thiourea
CID 3633484
4-nitro-N-[(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]benzenesulfonamide
CID 92522954
4-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzenesulfonamide
CID 6383602
4-nitrophenol
CID 88714583
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 3807440
4-hydroxybenzoic acid;4-nitrobenzoic acid
CID 174864813
4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 5409143
N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide
CID 135958010
4-nitro-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 5409142
4-nitrophenol;phosphane
CID 157153413
N-(benzhydrylideneamino)-4-dodecylbenzenesulfonamide
CID 22613565

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-nitrobenzenesulfonamide?
The IUPAC name of N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-nitrobenzenesulfonamide (CID 155512762) is N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-nitrobenzenesulfonamide?
The canonical SMILES for N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C(\c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-nitrobenzenesulfonamide?
The InChIKey is IABGABHQOYYTAP-FMQUCBEESA-N. The full InChI is InChI=1S/C19H15N3O5S/c23-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)20-21-28(26,27)18-12-8-16(9-13-18)22(24)25/h1-13,21,23H/b20-19+.
What are the key properties of N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-nitrobenzenesulfonamide?
N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-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]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 155512762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).