(Z)-N-(2-chlorophenyl)sulfonyl-2-(propan-2-ylideneamino)but-2-enamide

C13H15ClN2O3S — CID 142342265

IUPAC(Z)-N-(2-chlorophenyl)sulfonyl-2-(propan-2-ylideneamino)but-2-enamide
SMILESC/C=C(\N=C(C)C)C(=O)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H15ClN2O3S/c1-4-11(15-9(2)3)13(17)16-20(18,19)12-8-6-5-7-10(12)14/h4-8H,1-3H3,(H,16,17)/b11-4-
InChIKeyOENCIDCLKJIVSU-WCIBSUBMSA-N
MW314.79 g/mol
LogP2.53
Rot. Bonds4

About (Z)-N-(2-chlorophenyl)sulfonyl-2-(propan-2-ylideneamino)but-2-enamide

(Z)-N-(2-chlorophenyl)sulfonyl-2-(propan-2-ylideneamino)but-2-enamide (PubChem CID 142342265) has the molecular formula C13H15ClN2O3S and a molecular weight of 314.79 g/mol. Its IUPAC name is (Z)-N-(2-chlorophenyl)sulfonyl-2-(propan-2-ylideneamino)but-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2-chlorophenyl)sulfonyl-2-(propan-2-ylideneamino)but-2-enamide
PubChem CID142342265
Molecular FormulaC13H15ClN2O3S
Molecular Weight314.79 g/mol
Exact Mass314.05
IUPAC Name(Z)-N-(2-chlorophenyl)sulfonyl-2-(propan-2-ylideneamino)but-2-enamide
SMILESC/C=C(\N=C(C)C)C(=O)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H15ClN2O3S/c1-4-11(15-9(2)3)13(17)16-20(18,19)12-8-6-5-7-10(12)14/h4-8H,1-3H3,(H,16,17)/b11-4-
InChIKeyOENCIDCLKJIVSU-WCIBSUBMSA-N
XLogP2.53
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-chlorophenyl)sulfonyl-2-(propan-2-ylideneamino)but-2-enamide?
The IUPAC name of (Z)-N-(2-chlorophenyl)sulfonyl-2-(propan-2-ylideneamino)but-2-enamide (CID 142342265) is (Z)-N-(2-chlorophenyl)sulfonyl-2-(propan-2-ylideneamino)but-2-enamide.
What is the SMILES notation for (Z)-N-(2-chlorophenyl)sulfonyl-2-(propan-2-ylideneamino)but-2-enamide?
The canonical SMILES for (Z)-N-(2-chlorophenyl)sulfonyl-2-(propan-2-ylideneamino)but-2-enamide is C/C=C(\N=C(C)C)C(=O)NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of (Z)-N-(2-chlorophenyl)sulfonyl-2-(propan-2-ylideneamino)but-2-enamide?
The InChIKey is OENCIDCLKJIVSU-WCIBSUBMSA-N. The full InChI is InChI=1S/C13H15ClN2O3S/c1-4-11(15-9(2)3)13(17)16-20(18,19)12-8-6-5-7-10(12)14/h4-8H,1-3H3,(H,16,17)/b11-4-.
What are the key properties of (Z)-N-(2-chlorophenyl)sulfonyl-2-(propan-2-ylideneamino)but-2-enamide?
(Z)-N-(2-chlorophenyl)sulfonyl-2-(propan-2-ylideneamino)but-2-enamide has a molecular weight of 314.79 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-chlorophenyl)sulfonyl-2-(propan-2-ylideneamino)but-2-enamide is sourced from PubChem (CID 142342265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).