N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-nitrobenzenesulfonamide

C17H13N3O5S — CID 137227565

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C17H13N3O5S/c21-17-10-5-12-3-1-2-4-15(12)16(17)11-18-19-26(24,25)14-8-6-13(7-9-14)20(22)23/h1-11,19,21H/b18-11+
InChIKeyBZENDGLXJAQQEZ-WOJGMQOQSA-N
MW371.37 g/mol
LogP2.77
Rot. Bonds5

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-nitrobenzenesulfonamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-nitrobenzenesulfonamide (PubChem CID 137227565) has the molecular formula C17H13N3O5S and a molecular weight of 371.37 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-nitrobenzenesulfonamide
PubChem CID137227565
Molecular FormulaC17H13N3O5S
Molecular Weight371.37 g/mol
Exact Mass371.06
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C17H13N3O5S/c21-17-10-5-12-3-1-2-4-15(12)16(17)11-18-19-26(24,25)14-8-6-13(7-9-14)20(22)23/h1-11,19,21H/b18-11+
InChIKeyBZENDGLXJAQQEZ-WOJGMQOQSA-N
XLogP2.77
TPSA121.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

1-(4-Nitrophenyliminomethyl)-2-naphthol
CID 626145
N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]-4-nitrobenzenesulfonamide
CID 25073558
(E)-4-((2-hydroxynaphthalen-1-yl)methyleneamino)-N-(1-phenylethyl)benzenesulfonamide
CID 135862920
4-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135717407
N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-nitrobenzenesulfonamide
CID 155512762
N-[4-({2-[(2-hydroxy-1-naphthyl)methylene]hydrazino}sulfonyl)phenyl]acetamide
CID 135419866
2-Hydroxy-1-naphthaldehyde (4-nitrophenyl)hydrazone
CID 135400357
4-Nitro-N'-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]benzene-1-sulfonohydrazide
CID 135431292
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]naphthalene-2-sulfonohydrazide
CID 135647358
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-4-nitrobenzenesulfonamide
CID 137100879
Benzenesulfonamide, 4-[[(2-hydroxy-1-naphthalenyl)methylene]amino]-
CID 690819
1-({[4-(1-Piperidinylsulfonyl)phenyl]imino}methyl)-2-naphthol
CID 1011516

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-nitrobenzenesulfonamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-nitrobenzenesulfonamide (CID 137227565) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-nitrobenzenesulfonamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-nitrobenzenesulfonamide?
The InChIKey is BZENDGLXJAQQEZ-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H13N3O5S/c21-17-10-5-12-3-1-2-4-15(12)16(17)11-18-19-26(24,25)14-8-6-13(7-9-14)20(22)23/h1-11,19,21H/b18-11+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-nitrobenzenesulfonamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-nitrobenzenesulfonamide has a molecular weight of 371.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 137227565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).