5-amino-N-(3,5-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide

C13H11Cl2FN2O2S — CID 80629045

IUPAC5-amino-N-(3,5-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1F
InChIInChI=1S/C13H11Cl2FN2O2S/c1-7-2-10(17)6-12(13(7)16)21(19,20)18-11-4-8(14)3-9(15)5-11/h2-6,18H,17H2,1H3
InChIKeyVSEJHDGGHSWSAI-UHFFFAOYSA-N
MW349.21 g/mol
LogP3.82
Rot. Bonds3

About 5-amino-N-(3,5-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide

5-amino-N-(3,5-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide (PubChem CID 80629045) has the molecular formula C13H11Cl2FN2O2S and a molecular weight of 349.21 g/mol. Its IUPAC name is 5-amino-N-(3,5-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(3,5-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
PubChem CID80629045
Molecular FormulaC13H11Cl2FN2O2S
Molecular Weight349.21 g/mol
Exact Mass347.99
IUPAC Name5-amino-N-(3,5-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1F
InChIInChI=1S/C13H11Cl2FN2O2S/c1-7-2-10(17)6-12(13(7)16)21(19,20)18-11-4-8(14)3-9(15)5-11/h2-6,18H,17H2,1H3
InChIKeyVSEJHDGGHSWSAI-UHFFFAOYSA-N
XLogP3.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-N-(3,5-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide 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

5-amino-N-(3,5-dichlorophenyl)-2,3-difluorobenzenesulfonamide
CID 65022984
5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629247
5-amino-N-(3,4-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629046
5-amino-2-fluoro-3-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587452
5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 107624570
5-amino-N-(4-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80628443
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80641824
5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629038
5-amino-3-chloro-N-(3-chloro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258123
5-amino-2-fluoro-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617116
5-amino-2-fluoro-3-methyl-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 80646555
5-amino-N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 103093919

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3,5-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(3,5-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide (CID 80629045) is 5-amino-N-(3,5-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(3,5-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(3,5-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1F.
What is the InChIKey of 5-amino-N-(3,5-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide?
The InChIKey is VSEJHDGGHSWSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2O2S/c1-7-2-10(17)6-12(13(7)16)21(19,20)18-11-4-8(14)3-9(15)5-11/h2-6,18H,17H2,1H3.
What are the key properties of 5-amino-N-(3,5-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide?
5-amino-N-(3,5-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide has a molecular weight of 349.21 g/mol, XLogP of 3.82, 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-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 80629045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).