(NZ)-N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-4-methylbenzenesulfonamide

C16H16N2O6S — CID 136873760

IUPAC(NZ)-N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-4-methylbenzenesulfonamide
SMILESCCOc1cc(/C=N\S(=O)(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C16H16N2O6S/c1-3-24-15-9-12(8-14(16(15)19)18(20)21)10-17-25(22,23)13-6-4-11(2)5-7-13/h4-10,19H,3H2,1-2H3/b17-10-
InChIKeyRSTGPDOWMVUZSP-YVLHZVERSA-N
MW364.38 g/mol
LogP2.82
Rot. Bonds6

About (NZ)-N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-4-methylbenzenesulfonamide

(NZ)-N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-4-methylbenzenesulfonamide (PubChem CID 136873760) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is (NZ)-N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-4-methylbenzenesulfonamide
PubChem CID136873760
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC Name(NZ)-N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-4-methylbenzenesulfonamide
SMILESCCOc1cc(/C=N\S(=O)(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C16H16N2O6S/c1-3-24-15-9-12(8-14(16(15)19)18(20)21)10-17-25(22,23)13-6-4-11(2)5-7-13/h4-10,19H,3H2,1-2H3/b17-10-
InChIKeyRSTGPDOWMVUZSP-YVLHZVERSA-N
XLogP2.82
TPSA119.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

(NZ)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide
CID 136873764
2-ethoxy-4-[(Z)-hydroxyiminomethyl]-6-nitrophenol
CID 136911315
2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol
CID 137059492
2-ethoxy-6-nitro-4-(phenyliminomethyl)phenol
CID 137059464
2-ethoxy-6-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 135891680
(NE)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-chlorobenzenesulfonamide
CID 135688610
(NZ)-N-[(2,4-diethoxy-5-nitrophenyl)methylidene]benzenesulfonamide
CID 110518805
methyl N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 135816495
2-[carboxymethyl-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]amino]acetic acid
CID 136786717
2-methoxy-4-[(4-methylphenyl)iminomethyl]-6-nitrophenol
CID 135851114
N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide
CID 136733272
N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 136798711

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-4-methylbenzenesulfonamide (CID 136873760) is (NZ)-N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-4-methylbenzenesulfonamide is CCOc1cc(/C=N\S(=O)(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1O.
What is the InChIKey of (NZ)-N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-4-methylbenzenesulfonamide?
The InChIKey is RSTGPDOWMVUZSP-YVLHZVERSA-N. The full InChI is InChI=1S/C16H16N2O6S/c1-3-24-15-9-12(8-14(16(15)19)18(20)21)10-17-25(22,23)13-6-4-11(2)5-7-13/h4-10,19H,3H2,1-2H3/b17-10-.
What are the key properties of (NZ)-N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-4-methylbenzenesulfonamide?
(NZ)-N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-4-methylbenzenesulfonamide has a molecular weight of 364.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 136873760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).