N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)methanesulfonamide

C11H7Cl2NO3S — CID 5119668

IUPACN-(2,3-dichloro-4-oxonaphthalen-1-ylidene)methanesulfonamide
SMILESCS(=O)(=O)N=C1C(Cl)=C(Cl)C(=O)c2ccccc21
InChIInChI=1S/C11H7Cl2NO3S/c1-18(16,17)14-10-6-4-2-3-5-7(6)11(15)9(13)8(10)12/h2-5H,1H3
InChIKeyAORJYFVBDNYLPJ-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.32
Rot. Bonds1

About N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)methanesulfonamide

N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)methanesulfonamide (PubChem CID 5119668) has the molecular formula C11H7Cl2NO3S and a molecular weight of 304.15 g/mol. Its IUPAC name is N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)methanesulfonamide.

Molecular Properties

Compound NameN-(2,3-dichloro-4-oxonaphthalen-1-ylidene)methanesulfonamide
PubChem CID5119668
Molecular FormulaC11H7Cl2NO3S
Molecular Weight304.15 g/mol
Exact Mass302.95
IUPAC NameN-(2,3-dichloro-4-oxonaphthalen-1-ylidene)methanesulfonamide
SMILESCS(=O)(=O)N=C1C(Cl)=C(Cl)C(=O)c2ccccc21
InChIInChI=1S/C11H7Cl2NO3S/c1-18(16,17)14-10-6-4-2-3-5-7(6)11(15)9(13)8(10)12/h2-5H,1H3
InChIKeyAORJYFVBDNYLPJ-UHFFFAOYSA-N
XLogP2.32
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N-(3-chloro-4-oxonaphthalen-1-ylidene)methanesulfonamide
CID 5119441
anthracene-9,10-dione;methanesulfonyl chloride
CID 174964861
(NE)-N-(3-chloro-4-oxonaphthalen-1-ylidene)ethanesulfonamide
CID 21236118
2-chloro-3-methoxynaphthalene-1,4-dione;2,3-dimethoxynaphthalene-1,4-dione
CID 70468705
2,3-dichloronaphthalene-1,4-dione;2,3-dichlorophenol
CID 175429838
2-tert-butylsulfanyl-3-chloronaphthalene-1,4-dione
CID 166451184
2-chloro-3-ethylsulfanylnaphthalene-1,4-dione
CID 2728933
2,3-dichloro-4H-naphthalen-1-one
CID 123154682
2-chloro-3-[4-(3-chloro-1,4-dioxonaphthalen-2-yl)but-2-enyl]naphthalene-1,4-dione
CID 139785695
N-(2,6-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)methanesulfonamide
CID 5090171
CID 67824005
CID 67824005
anthracene-9,10-dione;hydrofluoride
CID 172728823

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)methanesulfonamide?
The IUPAC name of N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)methanesulfonamide (CID 5119668) is N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)methanesulfonamide.
What is the SMILES notation for N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)methanesulfonamide?
The canonical SMILES for N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)methanesulfonamide is CS(=O)(=O)N=C1C(Cl)=C(Cl)C(=O)c2ccccc21.
What is the InChIKey of N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)methanesulfonamide?
The InChIKey is AORJYFVBDNYLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO3S/c1-18(16,17)14-10-6-4-2-3-5-7(6)11(15)9(13)8(10)12/h2-5H,1H3.
What are the key properties of N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)methanesulfonamide?
N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)methanesulfonamide has a molecular weight of 304.15 g/mol, XLogP of 2.32, 1 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-oxonaphthalen-1-ylidene)methanesulfonamide is sourced from PubChem (CID 5119668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).