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

C12H8Cl2F2N2O2S — CID 65022984

IUPAC5-amino-N-(3,5-dichlorophenyl)-2,3-difluorobenzenesulfonamide
SMILESNc1cc(F)c(F)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C12H8Cl2F2N2O2S/c13-6-1-7(14)3-9(2-6)18-21(19,20)11-5-8(17)4-10(15)12(11)16/h1-5,18H,17H2
InChIKeyQEASTRHMFTYXSL-UHFFFAOYSA-N
MW353.18 g/mol
LogP3.65
Rot. Bonds3

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

5-amino-N-(3,5-dichlorophenyl)-2,3-difluorobenzenesulfonamide (PubChem CID 65022984) has the molecular formula C12H8Cl2F2N2O2S and a molecular weight of 353.18 g/mol. Its IUPAC name is 5-amino-N-(3,5-dichlorophenyl)-2,3-difluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(3,5-dichlorophenyl)-2,3-difluorobenzenesulfonamide
PubChem CID65022984
Molecular FormulaC12H8Cl2F2N2O2S
Molecular Weight353.18 g/mol
Exact Mass351.97
IUPAC Name5-amino-N-(3,5-dichlorophenyl)-2,3-difluorobenzenesulfonamide
SMILESNc1cc(F)c(F)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C12H8Cl2F2N2O2S/c13-6-1-7(14)3-9(2-6)18-21(19,20)11-5-8(17)4-10(15)12(11)16/h1-5,18H,17H2
InChIKeyQEASTRHMFTYXSL-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-(3,5-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629045
5-amino-N-(3-bromo-4-fluorophenyl)-3-chloro-2-fluorobenzenesulfonamide
CID 104775483
5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide
CID 65022933
3-amino-N-(3-chloro-5-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 107363524
5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629247
5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide
CID 107624495
5-amino-2,3-difluoro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699455
5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 43255417
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,3-difluorobenzenesulfonamide
CID 65489076
5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide
CID 65023507
5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898624
3-amino-5-chloro-N-(3-chloro-5-fluorophenyl)-2-methylbenzenesulfonamide
CID 107363523

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3,5-dichlorophenyl)-2,3-difluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(3,5-dichlorophenyl)-2,3-difluorobenzenesulfonamide (CID 65022984) is 5-amino-N-(3,5-dichlorophenyl)-2,3-difluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(3,5-dichlorophenyl)-2,3-difluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(3,5-dichlorophenyl)-2,3-difluorobenzenesulfonamide is Nc1cc(F)c(F)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 5-amino-N-(3,5-dichlorophenyl)-2,3-difluorobenzenesulfonamide?
The InChIKey is QEASTRHMFTYXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F2N2O2S/c13-6-1-7(14)3-9(2-6)18-21(19,20)11-5-8(17)4-10(15)12(11)16/h1-5,18H,17H2.
What are the key properties of 5-amino-N-(3,5-dichlorophenyl)-2,3-difluorobenzenesulfonamide?
5-amino-N-(3,5-dichlorophenyl)-2,3-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 5-amino-N-(3,5-dichlorophenyl)-2,3-difluorobenzenesulfonamide is sourced from PubChem (CID 65022984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).