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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Related Compounds

4-amino-N-(2,4-dimethylphenyl)-N,2-dimethylbenzenesulfonamide
CID 62002580
3-amino-N-(2,4-dimethylphenyl)-1-ethyl-N-methylpyrazole-4-sulfonamide
CID 62002771
2-amino-4-fluoro-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 43570752
N-[(2-amino-5-fluorophenyl)methyl]-N,2,4-trimethylaniline
CID 62001809
2-amino-N-(4-ethylphenyl)-N,4-dimethylbenzenesulfonamide
CID 62003518
4-amino-N-(2,4-dimethylphenyl)-N-methylthiophene-2-sulfonamide
CID 62003332
(2,4-dimethylphenyl)-methylsulfamic acid
CID 19750978
2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849981
N-(3-amino-4-pyridinyl)-5-fluoro-N,2-dimethylbenzenesulfonamide
CID 61360190
4-bromo-N-(2,4-dimethylphenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 103697429
5-fluoro-2-methylsulfonylaniline
CID 22567345
N-(2,4-difluorophenyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 3857944

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).