3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide

C12H8Cl4N2O2S — CID 28992287

IUPAC3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2Cl)ccc1Cl
InChIInChI=1S/C12H8Cl4N2O2S/c13-6-3-9(15)12(10(16)4-6)18-21(19,20)7-1-2-8(14)11(17)5-7/h1-5,18H,17H2
InChIKeySFICODWSZONGPV-UHFFFAOYSA-N
MW386.09 g/mol
LogP4.68
Rot. Bonds3

About 3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide

3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide (PubChem CID 28992287) has the molecular formula C12H8Cl4N2O2S and a molecular weight of 386.09 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide
PubChem CID28992287
Molecular FormulaC12H8Cl4N2O2S
Molecular Weight386.09 g/mol
Exact Mass383.91
IUPAC Name3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2Cl)ccc1Cl
InChIInChI=1S/C12H8Cl4N2O2S/c13-6-3-9(15)12(10(16)4-6)18-21(19,20)7-1-2-8(14)11(17)5-7/h1-5,18H,17H2
InChIKeySFICODWSZONGPV-UHFFFAOYSA-N
XLogP4.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.09
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107596352
3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 43126278
3-amino-4-chloro-N-(2,6-difluoro-3-methylphenyl)benzenesulfonamide
CID 82799121
3-amino-4-chloro-N-phenylbenzenesulfonamide
CID 2873180
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482
3-amino-4-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79351598
4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 60650327
3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide
CID 43347515
3-amino-4-chloro-N-thiophen-3-ylbenzenesulfonamide
CID 66350781
3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61466408
3-amino-4-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 29030763
3-amino-4-chloro-N-[2-(dimethylamino)phenyl]benzenesulfonamide
CID 106759376

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide (CID 28992287) is 3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide is Nc1cc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2Cl)ccc1Cl.
What is the InChIKey of 3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide?
The InChIKey is SFICODWSZONGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl4N2O2S/c13-6-3-9(15)12(10(16)4-6)18-21(19,20)7-1-2-8(14)11(17)5-7/h1-5,18H,17H2.
What are the key properties of 3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide?
3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide has a molecular weight of 386.09 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 28992287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).