4-chloro-N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide

C16H10Cl3NO3S — CID 134612923

IUPAC4-chloro-N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide
SMILESO=C1c2ccccc2C(=NS(=O)(=O)c2ccc(Cl)cc2)C(Cl)C1Cl
InChIInChI=1S/C16H10Cl3NO3S/c17-9-5-7-10(8-6-9)24(22,23)20-15-11-3-1-2-4-12(11)16(21)14(19)13(15)18/h1-8,13-14H
InChIKeyXJFYJCARROFLMJ-UHFFFAOYSA-N
MW402.69 g/mol
LogP3.93
Rot. Bonds2

About 4-chloro-N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide

4-chloro-N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide (PubChem CID 134612923) has the molecular formula C16H10Cl3NO3S and a molecular weight of 402.69 g/mol. Its IUPAC name is 4-chloro-N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide
PubChem CID134612923
Molecular FormulaC16H10Cl3NO3S
Molecular Weight402.69 g/mol
Exact Mass400.94
IUPAC Name4-chloro-N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide
SMILESO=C1c2ccccc2C(=NS(=O)(=O)c2ccc(Cl)cc2)C(Cl)C1Cl
InChIInChI=1S/C16H10Cl3NO3S/c17-9-5-7-10(8-6-9)24(22,23)20-15-11-3-1-2-4-12(11)16(21)14(19)13(15)18/h1-8,13-14H
InChIKeyXJFYJCARROFLMJ-UHFFFAOYSA-N
XLogP3.93
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.69
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide
CID 134612858
4-chloro-N-(3,5-dichloro-2,6-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 5118131
2-chloro-3-[2-(4-chlorophenyl)ethylimino]naphthalene-1,4-dione
CID 7009477
1-[2-(4-chlorophenyl)phenyl]fluoren-9-one
CID 130380105
4-methyl-N-[(1R,2R,11R,12R)-10-(4-methylphenyl)sulfonylimino-3-tetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,13-tetraenylidene]benzenesulfonamide
CID 100712092
4-chloro-N-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-ylidene]benzenesulfonamide
CID 7214268
N-[(5R,6R)-2,3,5,6-tetrachloro-5-methyl-4-oxocyclohex-2-en-1-ylidene]benzenesulfonamide
CID 7344808
N-[(5S)-5-butyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide
CID 27317879
(NE)-4-chloro-N-[4-oxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]benzenesulfonamide
CID 22525617
N-[(5R)-5-butyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide
CID 27317882
(1R,2S)-1-chloro-2-(4-chlorophenyl)sulfonyl-2,3-dihydro-1H-indene
CID 822361
N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide
CID 555502

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide (CID 134612923) is 4-chloro-N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide is O=C1c2ccccc2C(=NS(=O)(=O)c2ccc(Cl)cc2)C(Cl)C1Cl.
What is the InChIKey of 4-chloro-N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide?
The InChIKey is XJFYJCARROFLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3NO3S/c17-9-5-7-10(8-6-9)24(22,23)20-15-11-3-1-2-4-12(11)16(21)14(19)13(15)18/h1-8,13-14H.
What are the key properties of 4-chloro-N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide?
4-chloro-N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide has a molecular weight of 402.69 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide is sourced from PubChem (CID 134612923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).