(NZ)-N-[3-(dimethylamino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide

C18H16N2O3S — CID 6318289

IUPAC(NZ)-N-[3-(dimethylamino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
SMILESCN(C)C1=C/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2C1=O
InChIInChI=1S/C18H16N2O3S/c1-20(2)17-12-16(14-10-6-7-11-15(14)18(17)21)19-24(22,23)13-8-4-3-5-9-13/h3-12H,1-2H3/b19-16-
InChIKeyDZJYEKURWAGAJP-MNDPQUGUSA-N
MW340.40 g/mol
LogP2.51
Rot. Bonds3

About (NZ)-N-[3-(dimethylamino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide

(NZ)-N-[3-(dimethylamino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide (PubChem CID 6318289) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is (NZ)-N-[3-(dimethylamino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[3-(dimethylamino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
PubChem CID6318289
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name(NZ)-N-[3-(dimethylamino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
SMILESCN(C)C1=C/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2C1=O
InChIInChI=1S/C18H16N2O3S/c1-20(2)17-12-16(14-10-6-7-11-15(14)18(17)21)19-24(22,23)13-8-4-3-5-9-13/h3-12H,1-2H3/b19-16-
InChIKeyDZJYEKURWAGAJP-MNDPQUGUSA-N
XLogP2.51
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[3-(dimethylamino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide?
The IUPAC name of (NZ)-N-[3-(dimethylamino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide (CID 6318289) is (NZ)-N-[3-(dimethylamino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide.
What is the SMILES notation for (NZ)-N-[3-(dimethylamino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide?
The canonical SMILES for (NZ)-N-[3-(dimethylamino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide is CN(C)C1=C/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2C1=O.
What is the InChIKey of (NZ)-N-[3-(dimethylamino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide?
The InChIKey is DZJYEKURWAGAJP-MNDPQUGUSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-20(2)17-12-16(14-10-6-7-11-15(14)18(17)21)19-24(22,23)13-8-4-3-5-9-13/h3-12H,1-2H3/b19-16-.
What are the key properties of (NZ)-N-[3-(dimethylamino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide?
(NZ)-N-[3-(dimethylamino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide has a molecular weight of 340.40 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[3-(dimethylamino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide is sourced from PubChem (CID 6318289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).