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

C17H18N2O3S — CID 5399230

IUPAC(NZ)-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide
SMILESO=S(=O)(/N=C(/c1ccccc1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C17H18N2O3S/c20-23(21,16-9-5-2-6-10-16)18-17(15-7-3-1-4-8-15)19-11-13-22-14-12-19/h1-10H,11-14H2/b18-17-
InChIKeyCCUWHLGKFFJENY-ZCXUNETKSA-N
MW330.41 g/mol
LogP2.15
Rot. Bonds3

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

(NZ)-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide (PubChem CID 5399230) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is (NZ)-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide
PubChem CID5399230
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name(NZ)-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide
SMILESO=S(=O)(/N=C(/c1ccccc1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C17H18N2O3S/c20-23(21,16-9-5-2-6-10-16)18-17(15-7-3-1-4-8-15)19-11-13-22-14-12-19/h1-10H,11-14H2/b18-17-
InChIKeyCCUWHLGKFFJENY-ZCXUNETKSA-N
XLogP2.15
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide?
The IUPAC name of (NZ)-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide (CID 5399230) is (NZ)-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide.
What is the SMILES notation for (NZ)-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide?
The canonical SMILES for (NZ)-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide is O=S(=O)(/N=C(/c1ccccc1)N1CCOCC1)c1ccccc1.
What is the InChIKey of (NZ)-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide?
The InChIKey is CCUWHLGKFFJENY-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-23(21,16-9-5-2-6-10-16)18-17(15-7-3-1-4-8-15)19-11-13-22-14-12-19/h1-10H,11-14H2/b18-17-.
What are the key properties of (NZ)-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide?
(NZ)-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide is sourced from PubChem (CID 5399230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).