(NZ)-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide

C17H17N3O5S — CID 18477605

IUPAC(NZ)-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(/C(=N/S(=O)(=O)c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C17H17N3O5S/c21-20(22)15-8-6-14(7-9-15)17(19-10-12-25-13-11-19)18-26(23,24)16-4-2-1-3-5-16/h1-9H,10-13H2/b18-17-
InChIKeyNEFGWQQUBOQBMD-ZCXUNETKSA-N
MW375.41 g/mol
LogP2.06
Rot. Bonds4

About (NZ)-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide

(NZ)-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide (PubChem CID 18477605) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is (NZ)-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide
PubChem CID18477605
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC Name(NZ)-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(/C(=N/S(=O)(=O)c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C17H17N3O5S/c21-20(22)15-8-6-14(7-9-15)17(19-10-12-25-13-11-19)18-26(23,24)16-4-2-1-3-5-16/h1-9H,10-13H2/b18-17-
InChIKeyNEFGWQQUBOQBMD-ZCXUNETKSA-N
XLogP2.06
TPSA102.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 (NZ)-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide?
The IUPAC name of (NZ)-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide (CID 18477605) is (NZ)-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide.
What is the SMILES notation for (NZ)-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide?
The canonical SMILES for (NZ)-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide is O=[N+]([O-])c1ccc(/C(=N/S(=O)(=O)c2ccccc2)N2CCOCC2)cc1.
What is the InChIKey of (NZ)-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide?
The InChIKey is NEFGWQQUBOQBMD-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H17N3O5S/c21-20(22)15-8-6-14(7-9-15)17(19-10-12-25-13-11-19)18-26(23,24)16-4-2-1-3-5-16/h1-9H,10-13H2/b18-17-.
What are the key properties of (NZ)-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide?
(NZ)-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide has a molecular weight of 375.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide is sourced from PubChem (CID 18477605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).