N'-(benzenesulfonamido)-2-(4-chlorophenoxy)ethanimidamide

C14H14ClN3O3S — CID 3265581

IUPACN'-(benzenesulfonamido)-2-(4-chlorophenoxy)ethanimidamide
SMILESNC(COc1ccc(Cl)cc1)=NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14ClN3O3S/c15-11-6-8-12(9-7-11)21-10-14(16)17-18-22(19,20)13-4-2-1-3-5-13/h1-9,18H,10H2,(H2,16,17)
InChIKeyUIOFVZQNCNDOPI-UHFFFAOYSA-N
MW339.80 g/mol
LogP1.97
Rot. Bonds6

About N'-(benzenesulfonamido)-2-(4-chlorophenoxy)ethanimidamide

N'-(benzenesulfonamido)-2-(4-chlorophenoxy)ethanimidamide (PubChem CID 3265581) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is N'-(benzenesulfonamido)-2-(4-chlorophenoxy)ethanimidamide.

Molecular Properties

Compound NameN'-(benzenesulfonamido)-2-(4-chlorophenoxy)ethanimidamide
PubChem CID3265581
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC NameN'-(benzenesulfonamido)-2-(4-chlorophenoxy)ethanimidamide
SMILESNC(COc1ccc(Cl)cc1)=NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14ClN3O3S/c15-11-6-8-12(9-7-11)21-10-14(16)17-18-22(19,20)13-4-2-1-3-5-13/h1-9,18H,10H2,(H2,16,17)
InChIKeyUIOFVZQNCNDOPI-UHFFFAOYSA-N
XLogP1.97
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-2-(4-chlorophenoxy)acetamide
CID 1004876
N'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide
CID 905489
N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide
CID 840428
ethyl 3-amino-3-(benzenesulfonylhydrazinylidene)propanoate
CID 5192357
N-[(Z)-[2-(4-methoxyphenoxy)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide
CID 6374670
4-chloro-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide
CID 136668780
[1-amino-2-(3-chlorophenoxy)ethylidene]-(benzenesulfonamido)azanium
CID 6987078
2-[4-[2-(benzenesulfonamido)ethyl]phenoxy]acetamide
CID 19388075
2-(4-chlorophenoxy)-N-oxoacetamide
CID 123460876
[4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 4606656
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 17320832
4-chloro-N-(2-hydroxy-3-phenoxypropyl)benzenesulfonamide
CID 166232814

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonamido)-2-(4-chlorophenoxy)ethanimidamide?
The IUPAC name of N'-(benzenesulfonamido)-2-(4-chlorophenoxy)ethanimidamide (CID 3265581) is N'-(benzenesulfonamido)-2-(4-chlorophenoxy)ethanimidamide.
What is the SMILES notation for N'-(benzenesulfonamido)-2-(4-chlorophenoxy)ethanimidamide?
The canonical SMILES for N'-(benzenesulfonamido)-2-(4-chlorophenoxy)ethanimidamide is NC(COc1ccc(Cl)cc1)=NNS(=O)(=O)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonamido)-2-(4-chlorophenoxy)ethanimidamide?
The InChIKey is UIOFVZQNCNDOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c15-11-6-8-12(9-7-11)21-10-14(16)17-18-22(19,20)13-4-2-1-3-5-13/h1-9,18H,10H2,(H2,16,17).
What are the key properties of N'-(benzenesulfonamido)-2-(4-chlorophenoxy)ethanimidamide?
N'-(benzenesulfonamido)-2-(4-chlorophenoxy)ethanimidamide has a molecular weight of 339.80 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonamido)-2-(4-chlorophenoxy)ethanimidamide is sourced from PubChem (CID 3265581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).