2-chloro-N'-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethanimidamide

C15H16ClN3O3S — CID 169366539

IUPAC2-chloro-N'-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethanimidamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(/N=C(/N)CCl)cc2)cc1
InChIInChI=1S/C15H16ClN3O3S/c1-22-13-6-2-12(3-7-13)19-23(20,21)14-8-4-11(5-9-14)18-15(17)10-16/h2-9,19H,10H2,1H3,(H2,17,18)
InChIKeyZTCBLSIZZHCYRK-UHFFFAOYSA-N
MW353.83 g/mol
LogP2.72
Rot. Bonds6

About 2-chloro-N'-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethanimidamide

2-chloro-N'-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethanimidamide (PubChem CID 169366539) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is 2-chloro-N'-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethanimidamide
PubChem CID169366539
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC Name2-chloro-N'-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethanimidamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(/N=C(/N)CCl)cc2)cc1
InChIInChI=1S/C15H16ClN3O3S/c1-22-13-6-2-12(3-7-13)19-23(20,21)14-8-4-11(5-9-14)18-15(17)10-16/h2-9,19H,10H2,1H3,(H2,17,18)
InChIKeyZTCBLSIZZHCYRK-UHFFFAOYSA-N
XLogP2.72
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(diaminomethylidene)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]guanidine
CID 168602860
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
[(Z)-[amino-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]methylidene]amino] acetate
CID 53243732
N,N-dibutyl-4-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide
CID 2187490
N-(2-hydroxyethyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 4618200
1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166423475
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
(2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 1000043
4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 121473240

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethanimidamide (CID 169366539) is 2-chloro-N'-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethanimidamide is COc1ccc(NS(=O)(=O)c2ccc(/N=C(/N)CCl)cc2)cc1.
What is the InChIKey of 2-chloro-N'-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethanimidamide?
The InChIKey is ZTCBLSIZZHCYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c1-22-13-6-2-12(3-7-13)19-23(20,21)14-8-4-11(5-9-14)18-15(17)10-16/h2-9,19H,10H2,1H3,(H2,17,18).
What are the key properties of 2-chloro-N'-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethanimidamide?
2-chloro-N'-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethanimidamide has a molecular weight of 353.83 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethanimidamide is sourced from PubChem (CID 169366539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).