2-chloro-N'-(2,6-dichloro-4-sulfamoylphenyl)ethanimidamide

C8H8Cl3N3O2S — CID 169369481

IUPAC2-chloro-N'-(2,6-dichloro-4-sulfamoylphenyl)ethanimidamide
SMILESN/C(CCl)=N/c1c(Cl)cc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C8H8Cl3N3O2S/c9-3-7(12)14-8-5(10)1-4(2-6(8)11)17(13,15)16/h1-2H,3H2,(H2,12,14)(H2,13,15,16)
InChIKeyCGADPWWLIGFBFY-UHFFFAOYSA-N
MW316.60 g/mol
LogP1.87
Rot. Bonds3

About 2-chloro-N'-(2,6-dichloro-4-sulfamoylphenyl)ethanimidamide

2-chloro-N'-(2,6-dichloro-4-sulfamoylphenyl)ethanimidamide (PubChem CID 169369481) has the molecular formula C8H8Cl3N3O2S and a molecular weight of 316.60 g/mol. Its IUPAC name is 2-chloro-N'-(2,6-dichloro-4-sulfamoylphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(2,6-dichloro-4-sulfamoylphenyl)ethanimidamide
PubChem CID169369481
Molecular FormulaC8H8Cl3N3O2S
Molecular Weight316.60 g/mol
Exact Mass314.94
IUPAC Name2-chloro-N'-(2,6-dichloro-4-sulfamoylphenyl)ethanimidamide
SMILESN/C(CCl)=N/c1c(Cl)cc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C8H8Cl3N3O2S/c9-3-7(12)14-8-5(10)1-4(2-6(8)11)17(13,15)16/h1-2H,3H2,(H2,12,14)(H2,13,15,16)
InChIKeyCGADPWWLIGFBFY-UHFFFAOYSA-N
XLogP1.87
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.60
LogP ≤ 51.87
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

2-chloro-N'-(2,6-dichloro-4-cyanophenyl)ethanimidamide
CID 169369477
2-chloro-N'-(2,6-dibromo-4-chloro-3-methylphenyl)ethanimidamide
CID 169365391
2-chloro-N'-(4-chloro-2,6-difluorophenyl)ethanimidamide
CID 169365262
2-chloro-N'-[5-chloro-4-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]ethanimidamide
CID 169365306
2-chloro-N'-(2-chloro-4-cyano-6-iodophenyl)ethanimidamide
CID 169366175
[4-[(1-amino-2-chloroethylidene)amino]phenyl]sulfonylurea
CID 169364990
3-chloro-2-methyl-5-sulfamoylbenzamide
CID 107100898
3,4-dibromo-5-chlorobenzenesulfonamide
CID 171008956
2-chloro-N'-[2-chloro-6-iodo-4-(trifluoromethoxy)phenyl]ethanimidamide
CID 169369383
2-chloro-N'-(2,4,6-tribromo-3-methylphenyl)ethanimidamide
CID 169365470
N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide
CID 169369458
3-chloro-5-ethyl-4-methylbenzenesulfonamide
CID 174477072

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2,6-dichloro-4-sulfamoylphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(2,6-dichloro-4-sulfamoylphenyl)ethanimidamide (CID 169369481) is 2-chloro-N'-(2,6-dichloro-4-sulfamoylphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(2,6-dichloro-4-sulfamoylphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(2,6-dichloro-4-sulfamoylphenyl)ethanimidamide is N/C(CCl)=N/c1c(Cl)cc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 2-chloro-N'-(2,6-dichloro-4-sulfamoylphenyl)ethanimidamide?
The InChIKey is CGADPWWLIGFBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl3N3O2S/c9-3-7(12)14-8-5(10)1-4(2-6(8)11)17(13,15)16/h1-2H,3H2,(H2,12,14)(H2,13,15,16).
What are the key properties of 2-chloro-N'-(2,6-dichloro-4-sulfamoylphenyl)ethanimidamide?
2-chloro-N'-(2,6-dichloro-4-sulfamoylphenyl)ethanimidamide has a molecular weight of 316.60 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2,6-dichloro-4-sulfamoylphenyl)ethanimidamide is sourced from PubChem (CID 169369481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).