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

C16H11Cl2NO3S — CID 134612858

IUPACN-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide
SMILESO=C1c2ccccc2C(=NS(=O)(=O)c2ccccc2)C(Cl)C1Cl
InChIInChI=1S/C16H11Cl2NO3S/c17-13-14(18)16(20)12-9-5-4-8-11(12)15(13)19-23(21,22)10-6-2-1-3-7-10/h1-9,13-14H
InChIKeyVSZSSLXLQVZWLX-UHFFFAOYSA-N
MW368.24 g/mol
LogP3.28
Rot. Bonds2

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

N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide (PubChem CID 134612858) has the molecular formula C16H11Cl2NO3S and a molecular weight of 368.24 g/mol. Its IUPAC name is N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide
PubChem CID134612858
Molecular FormulaC16H11Cl2NO3S
Molecular Weight368.24 g/mol
Exact Mass366.98
IUPAC NameN-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide
SMILESO=C1c2ccccc2C(=NS(=O)(=O)c2ccccc2)C(Cl)C1Cl
InChIInChI=1S/C16H11Cl2NO3S/c17-13-14(18)16(20)12-9-5-4-8-11(12)15(13)19-23(21,22)10-6-2-1-3-7-10/h1-9,13-14H
InChIKeyVSZSSLXLQVZWLX-UHFFFAOYSA-N
XLogP3.28
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 53.28
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

4-chloro-N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide
CID 134612923
N-[(5R,6R)-2,3,5,6-tetrachloro-5-methyl-4-oxocyclohex-2-en-1-ylidene]benzenesulfonamide
CID 7344808
N-(5,6-dichloro-5-methyl-4-oxo-2-propan-2-ylcyclohex-2-en-1-ylidene)benzenesulfonamide
CID 3518319
N-[(5R,6S)-5,6-dichloro-5-methyl-4-oxo-2-propan-2-ylcyclohex-2-en-1-ylidene]benzenesulfonamide
CID 7721704
(NZ)-N-(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 5400956
2-[4-(benzenesulfonyl)phenyl]indene-1,3-dione
CID 154089135
N-[3-(benzenesulfonyl)-4-oxocyclohexa-2,5-dien-1-ylidene]benzenesulfonamide
CID 3400368
(NE)-N-[(1Z)-1-(benzenesulfonylimino)naphthalen-2-ylidene]benzenesulfonamide
CID 134925733
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
N-(3,4-dihydro-1H-quinolin-2-ylidene)benzenesulfonamide
CID 157021117
N-(4-methylsulfonyliminocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 13437743
(NZ)-N-[(1R,4S)-3,3-dichloro-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzenesulfonamide
CID 134935939

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide?
The IUPAC name of N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide (CID 134612858) is N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide.
What is the SMILES notation for N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide?
The canonical SMILES for N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide is O=C1c2ccccc2C(=NS(=O)(=O)c2ccccc2)C(Cl)C1Cl.
What is the InChIKey of N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide?
The InChIKey is VSZSSLXLQVZWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO3S/c17-13-14(18)16(20)12-9-5-4-8-11(12)15(13)19-23(21,22)10-6-2-1-3-7-10/h1-9,13-14H.
What are the key properties of N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide?
N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide has a molecular weight of 368.24 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide is sourced from PubChem (CID 134612858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).