N-[4-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-2-(4-chlorophenoxy)acetamide

C22H20ClN3O4S — CID 1004876

IUPACN-[4-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-2-(4-chlorophenoxy)acetamide
SMILESCC(=NNS(=O)(=O)c1ccccc1)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20ClN3O4S/c1-16(25-26-31(28,29)21-5-3-2-4-6-21)17-7-11-19(12-8-17)24-22(27)15-30-20-13-9-18(23)10-14-20/h2-14,26H,15H2,1H3,(H,24,27)
InChIKeyXZRBHRQYUSVANH-UHFFFAOYSA-N
MW457.94 g/mol
LogP4.06
Rot. Bonds8

About N-[4-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-2-(4-chlorophenoxy)acetamide

N-[4-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 1004876) has the molecular formula C22H20ClN3O4S and a molecular weight of 457.94 g/mol. Its IUPAC name is N-[4-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-2-(4-chlorophenoxy)acetamide
PubChem CID1004876
Molecular FormulaC22H20ClN3O4S
Molecular Weight457.94 g/mol
Exact Mass457.09
IUPAC NameN-[4-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-2-(4-chlorophenoxy)acetamide
SMILESCC(=NNS(=O)(=O)c1ccccc1)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20ClN3O4S/c1-16(25-26-31(28,29)21-5-3-2-4-6-21)17-7-11-19(12-8-17)24-22(27)15-30-20-13-9-18(23)10-14-20/h2-14,26H,15H2,1H3,(H,24,27)
InChIKeyXZRBHRQYUSVANH-UHFFFAOYSA-N
XLogP4.06
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 54.06
H-Bond Donors ≤ 52
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-chlorophenyl)-N-[4-[C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]acetamide
CID 4151091
N-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide
CID 6381588
2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 23094897
N'-(benzenesulfonamido)-2-(4-chlorophenoxy)ethanimidamide
CID 3265581
methyl N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]carbamate
CID 9075161
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]benzamide
CID 9058750
4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide
CID 6287230
N-(4-chlorophenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 5185109
N'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide
CID 905489
N-[4-[(Z)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2,2,2-trifluoroacetamide
CID 6271601
(3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide
CID 6387241
N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3918848

Frequently Asked Questions

What is the IUPAC name of N-[4-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[4-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-2-(4-chlorophenoxy)acetamide (CID 1004876) is N-[4-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[4-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[4-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-2-(4-chlorophenoxy)acetamide is CC(=NNS(=O)(=O)c1ccccc1)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is XZRBHRQYUSVANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4S/c1-16(25-26-31(28,29)21-5-3-2-4-6-21)17-7-11-19(12-8-17)24-22(27)15-30-20-13-9-18(23)10-14-20/h2-14,26H,15H2,1H3,(H,24,27).
What are the key properties of N-[4-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-2-(4-chlorophenoxy)acetamide?
N-[4-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 457.94 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 1004876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).