3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide

C15H17FN2O2S — CID 43257764

IUPAC3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)ccc(N)c2C)cc1F
InChIInChI=1S/C15H17FN2O2S/c1-9-4-6-12(8-13(9)16)18-21(19,20)15-10(2)5-7-14(17)11(15)3/h4-8,18H,17H2,1-3H3
InChIKeyCGMVYCLRXGQYLU-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.13
Rot. Bonds3

About 3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide

3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 43257764) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
PubChem CID43257764
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)ccc(N)c2C)cc1F
InChIInChI=1S/C15H17FN2O2S/c1-9-4-6-12(8-13(9)16)18-21(19,20)15-10(2)5-7-14(17)11(15)3/h4-8,18H,17H2,1-3H3
InChIKeyCGMVYCLRXGQYLU-UHFFFAOYSA-N
XLogP3.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.13
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-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 43258685
3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257720
3-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 116791365
3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 61166903
3-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298458
2-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298856
3-amino-N-(3-methoxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257405
2-amino-N-(4-chloro-3-fluorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103171347
3-amino-N-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358010
3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 43257536
N-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326089
4-amino-N-(4-fluoro-3-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 79569216

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide (CID 43257764) is 3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2c(C)ccc(N)c2C)cc1F.
What is the InChIKey of 3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is CGMVYCLRXGQYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-9-4-6-12(8-13(9)16)18-21(19,20)15-10(2)5-7-14(17)11(15)3/h4-8,18H,17H2,1-3H3.
What are the key properties of 3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide?
3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 3.13, 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-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 43257764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).