5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide

C14H15FN2O2S — CID 29277276

IUPAC5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2cccc(F)c2)c1C
InChIInChI=1S/C14H15FN2O2S/c1-9-6-12(16)8-14(10(9)2)20(18,19)17-13-5-3-4-11(15)7-13/h3-8,17H,16H2,1-2H3
InChIKeyDFXDLVMJDCESLY-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.83
Rot. Bonds3

About 5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide

5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide (PubChem CID 29277276) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
PubChem CID29277276
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2cccc(F)c2)c1C
InChIInChI=1S/C14H15FN2O2S/c1-9-6-12(16)8-14(10(9)2)20(18,19)17-13-5-3-4-11(15)7-13/h3-8,17H,16H2,1-2H3
InChIKeyDFXDLVMJDCESLY-UHFFFAOYSA-N
XLogP2.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.83
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-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide
CID 79896534
4-amino-N-(3-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 79589093
5-amino-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 43255416
5-amino-N-(4-chloro-3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 61467096
2-amino-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 29053554
5-amino-N-(4-fluoro-2-iodophenyl)-2,3-dimethylbenzenesulfonamide
CID 79757817
5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 29040045
5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898624
4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 17377299
4-amino-2,6-dibromo-N-(3-fluorophenyl)benzenesulfonamide
CID 43257495
5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 29288655
5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide
CID 66351008

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide (CID 29277276) is 5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)Nc2cccc(F)c2)c1C.
What is the InChIKey of 5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is DFXDLVMJDCESLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-9-6-12(16)8-14(10(9)2)20(18,19)17-13-5-3-4-11(15)7-13/h3-8,17H,16H2,1-2H3.
What are the key properties of 5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide?
5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.83, 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-fluorophenyl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 29277276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).