3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide

C12H8Cl2F2N2O2S — CID 107343077

IUPAC3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide
SMILESNc1c(F)ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1F
InChIInChI=1S/C12H8Cl2F2N2O2S/c13-6-1-2-7(14)9(5-6)18-21(19,20)10-4-3-8(15)12(17)11(10)16/h1-5,18H,17H2
InChIKeyDRXIGCUHDSVGMU-UHFFFAOYSA-N
MW353.18 g/mol
LogP3.65
Rot. Bonds3

About 3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide

3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide (PubChem CID 107343077) has the molecular formula C12H8Cl2F2N2O2S and a molecular weight of 353.18 g/mol. Its IUPAC name is 3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide
PubChem CID107343077
Molecular FormulaC12H8Cl2F2N2O2S
Molecular Weight353.18 g/mol
Exact Mass351.97
IUPAC Name3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide
SMILESNc1c(F)ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1F
InChIInChI=1S/C12H8Cl2F2N2O2S/c13-6-1-2-7(14)9(5-6)18-21(19,20)10-4-3-8(15)12(17)11(10)16/h1-5,18H,17H2
InChIKeyDRXIGCUHDSVGMU-UHFFFAOYSA-N
XLogP3.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 53.65
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

5-amino-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898634
3-amino-N-(3-chloro-5-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 107363524
3-amino-N-(3,5-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 107343056
5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide
CID 107624495
methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate
CID 95036267
4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 28590083
2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 43438207
2-amino-N-(2,5-dichlorophenyl)pyridine-3-sulfonamide
CID 55044124
N-(3-amino-2,4-dimethylphenyl)-4-chloro-2-fluorobenzenesulfonamide
CID 60973193
5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 60661381
3-amino-N-(2-bromo-3-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 107343733
methyl 4-chloro-3-[(4-chloro-2-fluorophenyl)sulfonylamino]benzoate
CID 8500236

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide (CID 107343077) is 3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide is Nc1c(F)ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1F.
What is the InChIKey of 3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is DRXIGCUHDSVGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F2N2O2S/c13-6-1-2-7(14)9(5-6)18-21(19,20)10-4-3-8(15)12(17)11(10)16/h1-5,18H,17H2.
What are the key properties of 3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide?
3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 353.18 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 107343077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).