N-[5-chloro-2-[[4-chloro-2-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]diazenyl]phenyl]sulfonyl-2,2,2-trifluoroacetamide

C16H8Cl2F6N4O6S2 — CID 102339688

IUPACN-[5-chloro-2-[[4-chloro-2-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]diazenyl]phenyl]sulfonyl-2,2,2-trifluoroacetamide
SMILESO=C(NS(=O)(=O)c1cc(Cl)ccc1/N=N/c1ccc(Cl)cc1S(=O)(=O)NC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H8Cl2F6N4O6S2/c17-7-1-3-9(11(5-7)35(31,32)27-13(29)15(19,20)21)25-26-10-4-2-8(18)6-12(10)36(33,34)28-14(30)16(22,23)24/h1-6H,(H,27,29)(H,28,30)/b26-25+
InChIKeyFYCJVLHEWLHDRA-OCEACIFDSA-N
MW601.29 g/mol
LogP4.14
Rot. Bonds6

About N-[5-chloro-2-[[4-chloro-2-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]diazenyl]phenyl]sulfonyl-2,2,2-trifluoroacetamide

N-[5-chloro-2-[[4-chloro-2-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]diazenyl]phenyl]sulfonyl-2,2,2-trifluoroacetamide (PubChem CID 102339688) has the molecular formula C16H8Cl2F6N4O6S2 and a molecular weight of 601.29 g/mol. Its IUPAC name is N-[5-chloro-2-[[4-chloro-2-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]diazenyl]phenyl]sulfonyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[5-chloro-2-[[4-chloro-2-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]diazenyl]phenyl]sulfonyl-2,2,2-trifluoroacetamide
PubChem CID102339688
Molecular FormulaC16H8Cl2F6N4O6S2
Molecular Weight601.29 g/mol
Exact Mass599.92
IUPAC NameN-[5-chloro-2-[[4-chloro-2-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]diazenyl]phenyl]sulfonyl-2,2,2-trifluoroacetamide
SMILESO=C(NS(=O)(=O)c1cc(Cl)ccc1/N=N/c1ccc(Cl)cc1S(=O)(=O)NC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H8Cl2F6N4O6S2/c17-7-1-3-9(11(5-7)35(31,32)27-13(29)15(19,20)21)25-26-10-4-2-8(18)6-12(10)36(33,34)28-14(30)16(22,23)24/h1-6H,(H,27,29)(H,28,30)/b26-25+
InChIKeyFYCJVLHEWLHDRA-OCEACIFDSA-N
XLogP4.14
TPSA151.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.29
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-(benzoylsulfamoyl)-4-chlorophenyl]diazenyl]-5-chlorophenyl]sulfonylbenzamide
CID 102339690
N-(2-chloro-5-cyanophenyl)sulfonyl-2,2,2-trifluoroacetamide
CID 23525847
N-(3,4-dihydroxyphenyl)sulfonyl-2,2,2-trifluoroacetamide
CID 170128442
N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide
CID 47269831
N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide
CID 14399786
N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide
CID 87693092
5-chloro-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 141028077
N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide
CID 167798625
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide
CID 124926790
N-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 4099366
4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide
CID 43476927

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[[4-chloro-2-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]diazenyl]phenyl]sulfonyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-[5-chloro-2-[[4-chloro-2-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]diazenyl]phenyl]sulfonyl-2,2,2-trifluoroacetamide (CID 102339688) is N-[5-chloro-2-[[4-chloro-2-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]diazenyl]phenyl]sulfonyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[5-chloro-2-[[4-chloro-2-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]diazenyl]phenyl]sulfonyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[5-chloro-2-[[4-chloro-2-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]diazenyl]phenyl]sulfonyl-2,2,2-trifluoroacetamide is O=C(NS(=O)(=O)c1cc(Cl)ccc1/N=N/c1ccc(Cl)cc1S(=O)(=O)NC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[5-chloro-2-[[4-chloro-2-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]diazenyl]phenyl]sulfonyl-2,2,2-trifluoroacetamide?
The InChIKey is FYCJVLHEWLHDRA-OCEACIFDSA-N. The full InChI is InChI=1S/C16H8Cl2F6N4O6S2/c17-7-1-3-9(11(5-7)35(31,32)27-13(29)15(19,20)21)25-26-10-4-2-8(18)6-12(10)36(33,34)28-14(30)16(22,23)24/h1-6H,(H,27,29)(H,28,30)/b26-25+.
What are the key properties of N-[5-chloro-2-[[4-chloro-2-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]diazenyl]phenyl]sulfonyl-2,2,2-trifluoroacetamide?
N-[5-chloro-2-[[4-chloro-2-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]diazenyl]phenyl]sulfonyl-2,2,2-trifluoroacetamide has a molecular weight of 601.29 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[[4-chloro-2-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]diazenyl]phenyl]sulfonyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 102339688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).