2-(2-chlorophenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide

C19H20ClN3O3S — CID 134058131

IUPAC2-(2-chlorophenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide
SMILESCN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Cl)cc1
InChIInChI=1S/C19H20ClN3O3S/c1-23-12-4-7-18(23)22-27(25,26)16-10-8-15(9-11-16)21-19(24)13-14-5-2-3-6-17(14)20/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,21,24)/b22-18-
InChIKeyKYJALNCUIRNWDA-PYCFMQQDSA-N
MW405.91 g/mol
LogP3.33
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide

2-(2-chlorophenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide (PubChem CID 134058131) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide
PubChem CID134058131
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC Name2-(2-chlorophenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide
SMILESCN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Cl)cc1
InChIInChI=1S/C19H20ClN3O3S/c1-23-12-4-7-18(23)22-27(25,26)16-10-8-15(9-11-16)21-19(24)13-14-5-2-3-6-17(14)20/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,21,24)/b22-18-
InChIKeyKYJALNCUIRNWDA-PYCFMQQDSA-N
XLogP3.33
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide
CID 51956796
1-[(2-chlorophenyl)methyl]-N-[4-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]pyrazole-4-carboxamide
CID 60557805
N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-4-phenylbutanamide
CID 55801696
N-[4-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 60557774
4-methoxy-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]butanamide
CID 55801729
2-chloro-4,5-difluoro-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]benzamide
CID 51956833
2-[ethyl(methyl)amino]-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-phenylacetamide
CID 56583095
4-acetamido-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]benzamide
CID 51956793
N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 52513231
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[4-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide
CID 55968842
3-(2,6-difluorophenyl)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]prop-2-enamide
CID 76884474
(1R,5R)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 98664489

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide (CID 134058131) is 2-(2-chlorophenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide is CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide?
The InChIKey is KYJALNCUIRNWDA-PYCFMQQDSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c1-23-12-4-7-18(23)22-27(25,26)16-10-8-15(9-11-16)21-19(24)13-14-5-2-3-6-17(14)20/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,21,24)/b22-18-.
What are the key properties of 2-(2-chlorophenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide?
2-(2-chlorophenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide has a molecular weight of 405.91 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide is sourced from PubChem (CID 134058131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).