(NZ)-N-[(2,4-diethoxy-5-nitrophenyl)methylidene]benzenesulfonamide

C17H18N2O6S — CID 110518805

IUPAC(NZ)-N-[(2,4-diethoxy-5-nitrophenyl)methylidene]benzenesulfonamide
SMILESCCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18N2O6S/c1-3-24-16-11-17(25-4-2)15(19(20)21)10-13(16)12-18-26(22,23)14-8-6-5-7-9-14/h5-12H,3-4H2,1-2H3/b18-12-
InChIKeyFKTIMYWHFACMCK-PDGQHHTCSA-N
MW378.41 g/mol
LogP3.20
Rot. Bonds8

About (NZ)-N-[(2,4-diethoxy-5-nitrophenyl)methylidene]benzenesulfonamide

(NZ)-N-[(2,4-diethoxy-5-nitrophenyl)methylidene]benzenesulfonamide (PubChem CID 110518805) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is (NZ)-N-[(2,4-diethoxy-5-nitrophenyl)methylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(2,4-diethoxy-5-nitrophenyl)methylidene]benzenesulfonamide
PubChem CID110518805
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Name(NZ)-N-[(2,4-diethoxy-5-nitrophenyl)methylidene]benzenesulfonamide
SMILESCCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18N2O6S/c1-3-24-16-11-17(25-4-2)15(19(20)21)10-13(16)12-18-26(22,23)14-8-6-5-7-9-14/h5-12H,3-4H2,1-2H3/b18-12-
InChIKeyFKTIMYWHFACMCK-PDGQHHTCSA-N
XLogP3.20
TPSA108.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
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

N-[(2-nitrophenyl)methylidene]benzenesulfonamide
CID 27877970
(NZ)-N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-4-methylbenzenesulfonamide
CID 136873760
N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517530
(NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]benzenesulfonamide
CID 110518819
3-benzyl-4-[(Z)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 110520213
(NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide
CID 110518664
N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 110506678
3-chloro-N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-methylaniline
CID 110506565
N-[(Z)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide
CID 110509446
N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]pentanamide
CID 110506922
4-[(Z)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-3-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 110520460
N-[(5-nitro-2,4-dipropoxyphenyl)methylideneamino]pyridin-2-amine
CID 110842592

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2,4-diethoxy-5-nitrophenyl)methylidene]benzenesulfonamide?
The IUPAC name of (NZ)-N-[(2,4-diethoxy-5-nitrophenyl)methylidene]benzenesulfonamide (CID 110518805) is (NZ)-N-[(2,4-diethoxy-5-nitrophenyl)methylidene]benzenesulfonamide.
What is the SMILES notation for (NZ)-N-[(2,4-diethoxy-5-nitrophenyl)methylidene]benzenesulfonamide?
The canonical SMILES for (NZ)-N-[(2,4-diethoxy-5-nitrophenyl)methylidene]benzenesulfonamide is CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\S(=O)(=O)c1ccccc1.
What is the InChIKey of (NZ)-N-[(2,4-diethoxy-5-nitrophenyl)methylidene]benzenesulfonamide?
The InChIKey is FKTIMYWHFACMCK-PDGQHHTCSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-3-24-16-11-17(25-4-2)15(19(20)21)10-13(16)12-18-26(22,23)14-8-6-5-7-9-14/h5-12H,3-4H2,1-2H3/b18-12-.
What are the key properties of (NZ)-N-[(2,4-diethoxy-5-nitrophenyl)methylidene]benzenesulfonamide?
(NZ)-N-[(2,4-diethoxy-5-nitrophenyl)methylidene]benzenesulfonamide has a molecular weight of 378.41 g/mol, XLogP of 3.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2,4-diethoxy-5-nitrophenyl)methylidene]benzenesulfonamide is sourced from PubChem (CID 110518805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).