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

C16H18ClN3O2S — CID 169367359

IUPAC2-chloro-N'-[4-(2-phenylethylsulfamoyl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C16H18ClN3O2S/c17-12-16(18)20-14-6-8-15(9-7-14)23(21,22)19-11-10-13-4-2-1-3-5-13/h1-9,19H,10-12H2,(H2,18,20)
InChIKeyNDZFKDOEFJOSOX-UHFFFAOYSA-N
MW351.86 g/mol
LogP2.44
Rot. Bonds7

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

2-chloro-N'-[4-(2-phenylethylsulfamoyl)phenyl]ethanimidamide (PubChem CID 169367359) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is 2-chloro-N'-[4-(2-phenylethylsulfamoyl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[4-(2-phenylethylsulfamoyl)phenyl]ethanimidamide
PubChem CID169367359
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC Name2-chloro-N'-[4-(2-phenylethylsulfamoyl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C16H18ClN3O2S/c17-12-16(18)20-14-6-8-15(9-7-14)23(21,22)19-11-10-13-4-2-1-3-5-13/h1-9,19H,10-12H2,(H2,18,20)
InChIKeyNDZFKDOEFJOSOX-UHFFFAOYSA-N
XLogP2.44
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[4-[(1-amino-2-chloroethylidene)amino]phenyl]sulfonylurea
CID 169364990
2-chloro-N'-[4-(3-ethoxypropylsulfamoyl)phenyl]ethanimidamide
CID 169366688
4-hydrazinyl-N-(2-phenylethyl)benzenesulfonamide
CID 43454992
2-[4-[2-(benzenesulfonamido)ethyl]phenyl]acetamide
CID 54332606
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
CID 5222462
2-chloro-N'-[4-[2-(methylamino)ethyl]phenyl]ethanimidamide
CID 169369257
4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide
CID 961989
4-nitro-N-(2-phenylethyl)benzenesulfonamide
CID 682201
4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 82844764
acetonitrile;4-chloro-N-(2-phenylethyl)benzenesulfonamide;hydrate
CID 174293454
4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide
CID 17160952
2-chloro-N'-[4-[(5-methylpyrimidin-2-yl)sulfamoyl]phenyl]ethanimidamide
CID 169368104

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-(2-phenylethylsulfamoyl)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[4-(2-phenylethylsulfamoyl)phenyl]ethanimidamide (CID 169367359) is 2-chloro-N'-[4-(2-phenylethylsulfamoyl)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[4-(2-phenylethylsulfamoyl)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[4-(2-phenylethylsulfamoyl)phenyl]ethanimidamide is N/C(CCl)=N/c1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 2-chloro-N'-[4-(2-phenylethylsulfamoyl)phenyl]ethanimidamide?
The InChIKey is NDZFKDOEFJOSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c17-12-16(18)20-14-6-8-15(9-7-14)23(21,22)19-11-10-13-4-2-1-3-5-13/h1-9,19H,10-12H2,(H2,18,20).
What are the key properties of 2-chloro-N'-[4-(2-phenylethylsulfamoyl)phenyl]ethanimidamide?
2-chloro-N'-[4-(2-phenylethylsulfamoyl)phenyl]ethanimidamide has a molecular weight of 351.86 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-(2-phenylethylsulfamoyl)phenyl]ethanimidamide is sourced from PubChem (CID 169367359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).