3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide

C14H14ClFN2O2S — CID 43258685

IUPAC3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H14ClFN2O2S/c1-8-3-6-13(17)9(2)14(8)21(19,20)18-10-4-5-12(16)11(15)7-10/h3-7,18H,17H2,1-2H3
InChIKeyBBHAQXFBPIYQLP-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.48
Rot. Bonds3

About 3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide

3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 43258685) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide
PubChem CID43258685
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H14ClFN2O2S/c1-8-3-6-13(17)9(2)14(8)21(19,20)18-10-4-5-12(16)11(15)7-10/h3-7,18H,17H2,1-2H3
InChIKeyBBHAQXFBPIYQLP-UHFFFAOYSA-N
XLogP3.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.48
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-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257764
4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
CID 60985629
3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257720
6-amino-N-(3,4-dichlorophenyl)-2,3-dimethylbenzenesulfonamide
CID 43258376
3-amino-N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885675
5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629247
2-amino-N-(4-chloro-3-fluorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103171347
N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 793232
2-amino-6-chloro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62810748
N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
CID 3844257
2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide
CID 28938069
3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 61166903

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide (CID 43258685) is 3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide is Cc1ccc(N)c(C)c1S(=O)(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is BBHAQXFBPIYQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-8-3-6-13(17)9(2)14(8)21(19,20)18-10-4-5-12(16)11(15)7-10/h3-7,18H,17H2,1-2H3.
What are the key properties of 3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide?
3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 328.80 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 43258685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).