2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide

C22H20ClN3O4S — CID 92511340

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
SMILESCN(CC(=O)N/N=C\c1cccc(Oc2ccccc2)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClN3O4S/c1-26(31(28,29)21-12-10-18(23)11-13-21)16-22(27)25-24-15-17-6-5-9-20(14-17)30-19-7-3-2-4-8-19/h2-15H,16H2,1H3,(H,25,27)/b24-15-
InChIKeyMTZRXWXVNFLSJS-IWIPYMOSSA-N
MW457.94 g/mol
LogP3.90
Rot. Bonds8

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide (PubChem CID 92511340) has the molecular formula C22H20ClN3O4S and a molecular weight of 457.94 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
PubChem CID92511340
Molecular FormulaC22H20ClN3O4S
Molecular Weight457.94 g/mol
Exact Mass457.09
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
SMILESCN(CC(=O)N/N=C\c1cccc(Oc2ccccc2)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClN3O4S/c1-26(31(28,29)21-12-10-18(23)11-13-21)16-22(27)25-24-15-17-6-5-9-20(14-17)30-19-7-3-2-4-8-19/h2-15H,16H2,1H3,(H,25,27)/b24-15-
InChIKeyMTZRXWXVNFLSJS-IWIPYMOSSA-N
XLogP3.90
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 92511334
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 92961553
N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3423617
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 126115890
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 9174614
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126011864
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 9174623
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3-phenoxyphenyl)methylideneamino]acetamide
CID 3108667
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 126067339
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 126118824
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-phenoxyphenyl)acetamide
CID 24583785
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 92661778

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide (CID 92511340) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is CN(CC(=O)N/N=C\c1cccc(Oc2ccccc2)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide?
The InChIKey is MTZRXWXVNFLSJS-IWIPYMOSSA-N. The full InChI is InChI=1S/C22H20ClN3O4S/c1-26(31(28,29)21-12-10-18(23)11-13-21)16-22(27)25-24-15-17-6-5-9-20(14-17)30-19-7-3-2-4-8-19/h2-15H,16H2,1H3,(H,25,27)/b24-15-.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide has a molecular weight of 457.94 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 92511340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).