(NE)-4-chloro-N-[(4-chlorophenyl)methylidene]benzenesulfonamide

C13H9Cl2NO2S — CID 19026285

IUPAC(NE)-4-chloro-N-[(4-chlorophenyl)methylidene]benzenesulfonamide
SMILESO=S(=O)(/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9Cl2NO2S/c14-11-3-1-10(2-4-11)9-16-19(17,18)13-7-5-12(15)6-8-13/h1-9H/b16-9+
InChIKeyWXUARJRWEPBJRB-CXUHLZMHSA-N
MW314.19 g/mol
LogP3.80
Rot. Bonds3

About (NE)-4-chloro-N-[(4-chlorophenyl)methylidene]benzenesulfonamide

(NE)-4-chloro-N-[(4-chlorophenyl)methylidene]benzenesulfonamide (PubChem CID 19026285) has the molecular formula C13H9Cl2NO2S and a molecular weight of 314.19 g/mol. Its IUPAC name is (NE)-4-chloro-N-[(4-chlorophenyl)methylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-chloro-N-[(4-chlorophenyl)methylidene]benzenesulfonamide
PubChem CID19026285
Molecular FormulaC13H9Cl2NO2S
Molecular Weight314.19 g/mol
Exact Mass312.97
IUPAC Name(NE)-4-chloro-N-[(4-chlorophenyl)methylidene]benzenesulfonamide
SMILESO=S(=O)(/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9Cl2NO2S/c14-11-3-1-10(2-4-11)9-16-19(17,18)13-7-5-12(15)6-8-13/h1-9H/b16-9+
InChIKeyWXUARJRWEPBJRB-CXUHLZMHSA-N
XLogP3.80
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Benzylidenebenzenesulfonamide
CID 555202
N-(4-Chlorobenzylidene)-4-methylbenzenesulfonamide
CID 5706324
Benzenesulfonamide, N-(phenylmethylene)-
CID 9602006
4-chloro-N'-(2-chloro-6-fluorobenzylidene)benzenesulfonohydrazide
CID 5411764
N'-(2-chloro-6-fluorobenzylidene)benzenesulfonohydrazide
CID 6897306
(1-Aza-2-(2-chlorophenyl)vinyl)((4-methylphenyl)sulfonyl)amine
CID 315213
N'-(4-Chlorobenzylidene)-4-methylbenzenesulfonohydrazide
CID 6861424
N'-[(3-chlorophenyl)methylidene]benzenesulfonohydrazide
CID 343078
4-chloro-N'-(3-phenyl-2-propen-1-ylidene)benzenesulfonohydrazide
CID 5661799
7-Chloro-1-hydroxy-2-(4-methylphenyl)sulfonyl-2,3,1-benzodiazaborinine
CID 44385280
N-[(4-chlorophenyl)methylidene]-4-methylbenzenesulfonamide
CID 2755675
methyl N-[(4-chlorophenyl)sulfonyl]benzenecarbimidothioate
CID 5414602

Frequently Asked Questions

What is the IUPAC name of (NE)-4-chloro-N-[(4-chlorophenyl)methylidene]benzenesulfonamide?
The IUPAC name of (NE)-4-chloro-N-[(4-chlorophenyl)methylidene]benzenesulfonamide (CID 19026285) is (NE)-4-chloro-N-[(4-chlorophenyl)methylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-4-chloro-N-[(4-chlorophenyl)methylidene]benzenesulfonamide?
The canonical SMILES for (NE)-4-chloro-N-[(4-chlorophenyl)methylidene]benzenesulfonamide is O=S(=O)(/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (NE)-4-chloro-N-[(4-chlorophenyl)methylidene]benzenesulfonamide?
The InChIKey is WXUARJRWEPBJRB-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H9Cl2NO2S/c14-11-3-1-10(2-4-11)9-16-19(17,18)13-7-5-12(15)6-8-13/h1-9H/b16-9+.
What are the key properties of (NE)-4-chloro-N-[(4-chlorophenyl)methylidene]benzenesulfonamide?
(NE)-4-chloro-N-[(4-chlorophenyl)methylidene]benzenesulfonamide has a molecular weight of 314.19 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-chloro-N-[(4-chlorophenyl)methylidene]benzenesulfonamide is sourced from PubChem (CID 19026285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).