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

C15H17FN2O2S — CID 103171069

IUPAC2-amino-N-(2-fluoro-4-methylphenyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)ccc(C)c2N)c(F)c1
InChIInChI=1S/C15H17FN2O2S/c1-9-4-7-13(12(16)8-9)18-21(19,20)15-11(3)6-5-10(2)14(15)17/h4-8,18H,17H2,1-3H3
InChIKeyNSDVAMBBUBTVLE-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.13
Rot. Bonds3

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

2-amino-N-(2-fluoro-4-methylphenyl)-3,6-dimethylbenzenesulfonamide (PubChem CID 103171069) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-amino-N-(2-fluoro-4-methylphenyl)-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-fluoro-4-methylphenyl)-3,6-dimethylbenzenesulfonamide
PubChem CID103171069
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name2-amino-N-(2-fluoro-4-methylphenyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)ccc(C)c2N)c(F)c1
InChIInChI=1S/C15H17FN2O2S/c1-9-4-7-13(12(16)8-9)18-21(19,20)15-11(3)6-5-10(2)14(15)17/h4-8,18H,17H2,1-3H3
InChIKeyNSDVAMBBUBTVLE-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

2-amino-N-(2-chloro-5-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 107624506
2-amino-N-(3-fluoro-2-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171388
3-amino-N-(2-fluoro-4-methylphenyl)-5-methylbenzenesulfonamide
CID 43256629
N-(2-amino-4-methylphenyl)-2,4,6-trifluorobenzenesulfonamide
CID 60971814
2-amino-N-(4-chloro-3-fluorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103171347
6-amino-N-(2-fluoro-5-methylphenyl)-2,3-dimethylbenzenesulfonamide
CID 43258725
4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 79569031
4-amino-3-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 115329584
2-amino-N-(5-bromo-2-chlorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103171459
5-amino-2-ethyl-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 43256631
2-amino-N-(4-chlorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103170975
2-amino-N-(2-bromo-3-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171680

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-fluoro-4-methylphenyl)-3,6-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-fluoro-4-methylphenyl)-3,6-dimethylbenzenesulfonamide (CID 103171069) is 2-amino-N-(2-fluoro-4-methylphenyl)-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-fluoro-4-methylphenyl)-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-fluoro-4-methylphenyl)-3,6-dimethylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2c(C)ccc(C)c2N)c(F)c1.
What is the InChIKey of 2-amino-N-(2-fluoro-4-methylphenyl)-3,6-dimethylbenzenesulfonamide?
The InChIKey is NSDVAMBBUBTVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-9-4-7-13(12(16)8-9)18-21(19,20)15-11(3)6-5-10(2)14(15)17/h4-8,18H,17H2,1-3H3.
What are the key properties of 2-amino-N-(2-fluoro-4-methylphenyl)-3,6-dimethylbenzenesulfonamide?
2-amino-N-(2-fluoro-4-methylphenyl)-3,6-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 2-amino-N-(2-fluoro-4-methylphenyl)-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 103171069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).