(NZ)-N-(3-chloro-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide

C18H14ClNO4S — CID 5450101

IUPAC(NZ)-N-(3-chloro-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)/N=C2/C=C(Cl)C(=O)c3ccccc32)cc1
InChIInChI=1S/C18H14ClNO4S/c1-2-24-12-7-9-13(10-8-12)25(22,23)20-17-11-16(19)18(21)15-6-4-3-5-14(15)17/h3-11H,2H2,1H3/b20-17-
InChIKeyVMPDDUDSYIOLQR-JZJYNLBNSA-N
MW375.83 g/mol
LogP3.58
Rot. Bonds4

About (NZ)-N-(3-chloro-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide

(NZ)-N-(3-chloro-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide (PubChem CID 5450101) has the molecular formula C18H14ClNO4S and a molecular weight of 375.83 g/mol. Its IUPAC name is (NZ)-N-(3-chloro-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(3-chloro-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide
PubChem CID5450101
Molecular FormulaC18H14ClNO4S
Molecular Weight375.83 g/mol
Exact Mass375.03
IUPAC Name(NZ)-N-(3-chloro-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)/N=C2/C=C(Cl)C(=O)c3ccccc32)cc1
InChIInChI=1S/C18H14ClNO4S/c1-2-24-12-7-9-13(10-8-12)25(22,23)20-17-11-16(19)18(21)15-6-4-3-5-14(15)17/h3-11H,2H2,1H3/b20-17-
InChIKeyVMPDDUDSYIOLQR-JZJYNLBNSA-N
XLogP3.58
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (NZ)-N-(3-chloro-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
CID 754023
p-ethoxyphenyl(oxo)[(E)-4-oxo-1,4-dihydro-1-naphthylideneamino]-lambda-sulfaniumolate
CID 5202306
N-(3-bromo-4-oxonaphthalen-1-ylidene)-4-methoxybenzenesulfonamide
CID 1368538
N-(3-bromo-4-oxo-1(4H)-naphthalenylidene)-4-methoxybenzenesulfonamide
CID 9566526
2-[(4E)-4-(4-ethoxyphenyl)sulfonylimino-1-oxonaphthalen-2-yl]sulfanylacetic acid
CID 6022733
4-methoxy-N-[3-(4-methylphenyl)sulfanyl-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 4050408
N-[(1Z)-3-Bromo-4-oxo-1,4-dihydronaphthalen-1-ylidene]-4-ethoxybenzene-1-sulfonamide
CID 6050045
(E)-4-ethoxy-N-(4-oxonaphthalen-1(4H)-ylidene)benzenesulfonamide
CID 9611934
N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethoxybenzenesulfonamide
CID 15993149
2-{[(4Z)-4-[(4-ethoxybenzenesulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl]sulfanyl}acetic acid
CID 1652747
(NZ)-4-methoxy-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
CID 5400961
2-[(4E)-4-(4-cycloheptyloxyphenyl)sulfonylimino-1-oxonaphthalen-2-yl]sulfanylacetic acid
CID 89493702

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(3-chloro-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide?
The IUPAC name of (NZ)-N-(3-chloro-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide (CID 5450101) is (NZ)-N-(3-chloro-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for (NZ)-N-(3-chloro-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide?
The canonical SMILES for (NZ)-N-(3-chloro-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)/N=C2/C=C(Cl)C(=O)c3ccccc32)cc1.
What is the InChIKey of (NZ)-N-(3-chloro-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide?
The InChIKey is VMPDDUDSYIOLQR-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H14ClNO4S/c1-2-24-12-7-9-13(10-8-12)25(22,23)20-17-11-16(19)18(21)15-6-4-3-5-14(15)17/h3-11H,2H2,1H3/b20-17-.
What are the key properties of (NZ)-N-(3-chloro-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide?
(NZ)-N-(3-chloro-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide has a molecular weight of 375.83 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(3-chloro-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 5450101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).