(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide

C17H15ClN2O4S — CID 155557452

IUPAC(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide
SMILESCC(=O)/C(=C\c1ccccc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H15ClN2O4S/c1-11(21)15(10-12-4-2-3-5-16(12)18)17(22)20-13-6-8-14(9-7-13)25(19,23)24/h2-10H,1H3,(H,20,22)(H2,19,23,24)/b15-10+
InChIKeyJJUIDVDVQGZFGE-XNTDXEJSSA-N
MW378.84 g/mol
LogP2.60
Rot. Bonds5

About (2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide

(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide (PubChem CID 155557452) has the molecular formula C17H15ClN2O4S and a molecular weight of 378.84 g/mol. Its IUPAC name is (2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide.

Molecular Properties

Compound Name(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide
PubChem CID155557452
Molecular FormulaC17H15ClN2O4S
Molecular Weight378.84 g/mol
Exact Mass378.04
IUPAC Name(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide
SMILESCC(=O)/C(=C\c1ccccc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H15ClN2O4S/c1-11(21)15(10-12-4-2-3-5-16(12)18)17(22)20-13-6-8-14(9-7-13)25(19,23)24/h2-10H,1H3,(H,20,22)(H2,19,23,24)/b15-10+
InChIKeyJJUIDVDVQGZFGE-XNTDXEJSSA-N
XLogP2.60
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 5157334
(E)-2-cyano-3-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1070933
(2E)-3-(2-chlorophenyl)-2-cyano-N-(4-sulfamoylphenyl)prop-2-enamide
CID 2520594
(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide
CID 155527145
3-chloro-N-(4-sulfamoylphenyl)benzamide
CID 2455664
(E)-3-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 2672927
N-[4-(benzenesulfonamido)phenyl]-2-chlorobenzamide
CID 2311681
hydroxamate deriv. B18
CID 23645804
2,5-dichloro-N-(4-sulfamoylphenyl)benzamide
CID 669678
2-(4-chlorophenyl)-N-(4-sulfamoylphenyl)acetamide
CID 670087
2,6-dichloro-N-(4-sulfamoylphenyl)benzamide
CID 798705
(2E)-3-(2-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 809665

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide?
The IUPAC name of (2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide (CID 155557452) is (2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide.
What is the SMILES notation for (2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide?
The canonical SMILES for (2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide is CC(=O)/C(=C\c1ccccc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide?
The InChIKey is JJUIDVDVQGZFGE-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H15ClN2O4S/c1-11(21)15(10-12-4-2-3-5-16(12)18)17(22)20-13-6-8-14(9-7-13)25(19,23)24/h2-10H,1H3,(H,20,22)(H2,19,23,24)/b15-10+.
What are the key properties of (2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide?
(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide has a molecular weight of 378.84 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide is sourced from PubChem (CID 155557452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).