3-chloro-N-(2,5-dichlorophenyl)-4-[4-nitro-2-(trifluoromethyl)phenoxy]benzenesulfonamide

C19H10Cl3F3N2O5S — CID 59982439

IUPAC3-chloro-N-(2,5-dichlorophenyl)-4-[4-nitro-2-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)cc2Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H10Cl3F3N2O5S/c20-10-1-4-14(21)16(7-10)26-33(30,31)12-3-6-18(15(22)9-12)32-17-5-2-11(27(28)29)8-13(17)19(23,24)25/h1-9,26H
InChIKeyJNCFKMMASLLTDP-UHFFFAOYSA-N
MW541.72 g/mol
LogP7.17
Rot. Bonds6

About 3-chloro-N-(2,5-dichlorophenyl)-4-[4-nitro-2-(trifluoromethyl)phenoxy]benzenesulfonamide

3-chloro-N-(2,5-dichlorophenyl)-4-[4-nitro-2-(trifluoromethyl)phenoxy]benzenesulfonamide (PubChem CID 59982439) has the molecular formula C19H10Cl3F3N2O5S and a molecular weight of 541.72 g/mol. Its IUPAC name is 3-chloro-N-(2,5-dichlorophenyl)-4-[4-nitro-2-(trifluoromethyl)phenoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,5-dichlorophenyl)-4-[4-nitro-2-(trifluoromethyl)phenoxy]benzenesulfonamide
PubChem CID59982439
Molecular FormulaC19H10Cl3F3N2O5S
Molecular Weight541.72 g/mol
Exact Mass539.93
IUPAC Name3-chloro-N-(2,5-dichlorophenyl)-4-[4-nitro-2-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)cc2Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H10Cl3F3N2O5S/c20-10-1-4-14(21)16(7-10)26-33(30,31)12-3-6-18(15(22)9-12)32-17-5-2-11(27(28)29)8-13(17)19(23,24)25/h1-9,26H
InChIKeyJNCFKMMASLLTDP-UHFFFAOYSA-N
XLogP7.17
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.72
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-chloro-N-(2,5-dichlorophenyl)-4-[4-nitro-2-(trifluoromethyl)phenoxy]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-3-chloro-4-[4-nitro-2-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 59982447
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
bis[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-oxophosphanium
CID 88537963
N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109274
4-chloro-N-(5-chloro-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67972012
4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide
CID 2796797
N-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide
CID 62907756
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
1-[4-[4-nitro-2-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine
CID 99771193
N-(2-chloro-5-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 61248781
N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822417
N-(5-chloro-2-methoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
CID 47771816

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,5-dichlorophenyl)-4-[4-nitro-2-(trifluoromethyl)phenoxy]benzenesulfonamide?
The IUPAC name of 3-chloro-N-(2,5-dichlorophenyl)-4-[4-nitro-2-(trifluoromethyl)phenoxy]benzenesulfonamide (CID 59982439) is 3-chloro-N-(2,5-dichlorophenyl)-4-[4-nitro-2-(trifluoromethyl)phenoxy]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2,5-dichlorophenyl)-4-[4-nitro-2-(trifluoromethyl)phenoxy]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2,5-dichlorophenyl)-4-[4-nitro-2-(trifluoromethyl)phenoxy]benzenesulfonamide is O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)cc2Cl)c(C(F)(F)F)c1.
What is the InChIKey of 3-chloro-N-(2,5-dichlorophenyl)-4-[4-nitro-2-(trifluoromethyl)phenoxy]benzenesulfonamide?
The InChIKey is JNCFKMMASLLTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl3F3N2O5S/c20-10-1-4-14(21)16(7-10)26-33(30,31)12-3-6-18(15(22)9-12)32-17-5-2-11(27(28)29)8-13(17)19(23,24)25/h1-9,26H.
What are the key properties of 3-chloro-N-(2,5-dichlorophenyl)-4-[4-nitro-2-(trifluoromethyl)phenoxy]benzenesulfonamide?
3-chloro-N-(2,5-dichlorophenyl)-4-[4-nitro-2-(trifluoromethyl)phenoxy]benzenesulfonamide has a molecular weight of 541.72 g/mol, XLogP of 7.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,5-dichlorophenyl)-4-[4-nitro-2-(trifluoromethyl)phenoxy]benzenesulfonamide is sourced from PubChem (CID 59982439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).