2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide

C15H17FN2O2S — CID 62002014

IUPAC2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2N)c(C)c1
InChIInChI=1S/C15H17FN2O2S/c1-10-4-6-14(11(2)8-10)18(3)21(19,20)15-7-5-12(16)9-13(15)17/h4-9H,17H2,1-3H3
InChIKeyNOLKCBACMYDWFX-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.85
Rot. Bonds3

About 2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide

2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 62002014) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
PubChem CID62002014
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2N)c(C)c1
InChIInChI=1S/C15H17FN2O2S/c1-10-4-6-14(11(2)8-10)18(3)21(19,20)15-7-5-12(16)9-13(15)17/h4-9H,17H2,1-3H3
InChIKeyNOLKCBACMYDWFX-UHFFFAOYSA-N
XLogP2.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide (CID 62002014) is 2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide is Cc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2N)c(C)c1.
What is the InChIKey of 2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is NOLKCBACMYDWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-10-4-6-14(11(2)8-10)18(3)21(19,20)15-7-5-12(16)9-13(15)17/h4-9H,17H2,1-3H3.
What are the key properties of 2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide?
2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 62002014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).