(NE)-N-[(4-chlorophenyl)methylidene]-4-methoxybenzenesulfonamide

C14H12ClNO3S — CID 53375428

IUPAC(NE)-N-[(4-chlorophenyl)methylidene]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H12ClNO3S/c1-19-13-6-8-14(9-7-13)20(17,18)16-10-11-2-4-12(15)5-3-11/h2-10H,1H3/b16-10+
InChIKeyXVFXBXVXXWCULM-MHWRWJLKSA-N
MW309.77 g/mol
LogP3.16
Rot. Bonds4

About (NE)-N-[(4-chlorophenyl)methylidene]-4-methoxybenzenesulfonamide

(NE)-N-[(4-chlorophenyl)methylidene]-4-methoxybenzenesulfonamide (PubChem CID 53375428) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is (NE)-N-[(4-chlorophenyl)methylidene]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(4-chlorophenyl)methylidene]-4-methoxybenzenesulfonamide
PubChem CID53375428
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name(NE)-N-[(4-chlorophenyl)methylidene]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H12ClNO3S/c1-19-13-6-8-14(9-7-13)20(17,18)16-10-11-2-4-12(15)5-3-11/h2-10H,1H3/b16-10+
InChIKeyXVFXBXVXXWCULM-MHWRWJLKSA-N
XLogP3.16
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-Methoxybenzylidene)-4-methylbenzenesulfonamide
CID 5706325
N'-(4-Methoxybenzylidene)benzenesulfonohydrazide
CID 6908543
N'-[1-(4-chlorophenyl)ethylidene]-4-methoxybenzenesulfonohydrazide
CID 5332734
N'-[(E)-{2-[(4-chlorobenzyl)oxy]phenyl}methylidene]benzenesulfonohydrazide
CID 6883383
N-[(Z)-(2-fluorophenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 5407706
N-[(4-Methoxyphenyl)methylidene]-4-methylbenzene-1-sulfonamide
CID 766935
3-(4-Chlorophenoxy)-1,2-benzothiazole 1,1-dioxide
CID 794423
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135958016
N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 3820728
N-(2-Methoxybenzylidene)-4-methylbenzenesulfonamide
CID 10924221
4-Chloro-N-(phenoxy-phenyl-methylene)-benzenesulfonamide
CID 6347530
(NE)-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 135071907

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4-chlorophenyl)methylidene]-4-methoxybenzenesulfonamide?
The IUPAC name of (NE)-N-[(4-chlorophenyl)methylidene]-4-methoxybenzenesulfonamide (CID 53375428) is (NE)-N-[(4-chlorophenyl)methylidene]-4-methoxybenzenesulfonamide.
What is the SMILES notation for (NE)-N-[(4-chlorophenyl)methylidene]-4-methoxybenzenesulfonamide?
The canonical SMILES for (NE)-N-[(4-chlorophenyl)methylidene]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)/N=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of (NE)-N-[(4-chlorophenyl)methylidene]-4-methoxybenzenesulfonamide?
The InChIKey is XVFXBXVXXWCULM-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-19-13-6-8-14(9-7-13)20(17,18)16-10-11-2-4-12(15)5-3-11/h2-10H,1H3/b16-10+.
What are the key properties of (NE)-N-[(4-chlorophenyl)methylidene]-4-methoxybenzenesulfonamide?
(NE)-N-[(4-chlorophenyl)methylidene]-4-methoxybenzenesulfonamide has a molecular weight of 309.77 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-chlorophenyl)methylidene]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 53375428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).