6-amino-N-(2-fluoro-5-methylphenyl)-2,3-dimethylbenzenesulfonamide

C15H17FN2O2S — CID 43258725

IUPAC6-amino-N-(2-fluoro-5-methylphenyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)c2c(N)ccc(C)c2C)c1
InChIInChI=1S/C15H17FN2O2S/c1-9-4-6-12(16)14(8-9)18-21(19,20)15-11(3)10(2)5-7-13(15)17/h4-8,18H,17H2,1-3H3
InChIKeyHOGQDLVBUXZSGM-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.13
Rot. Bonds3

About 6-amino-N-(2-fluoro-5-methylphenyl)-2,3-dimethylbenzenesulfonamide

6-amino-N-(2-fluoro-5-methylphenyl)-2,3-dimethylbenzenesulfonamide (PubChem CID 43258725) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-amino-N-(2-fluoro-5-methylphenyl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name6-amino-N-(2-fluoro-5-methylphenyl)-2,3-dimethylbenzenesulfonamide
PubChem CID43258725
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name6-amino-N-(2-fluoro-5-methylphenyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)c2c(N)ccc(C)c2C)c1
InChIInChI=1S/C15H17FN2O2S/c1-9-4-6-12(16)14(8-9)18-21(19,20)15-11(3)10(2)5-7-13(15)17/h4-8,18H,17H2,1-3H3
InChIKeyHOGQDLVBUXZSGM-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

6-amino-N-(5-chloro-2-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 43438179
6-amino-N-(4-chloro-2-methylphenyl)-2,3-dimethylbenzenesulfonamide
CID 43258446
6-amino-N-(2,4-dibromophenyl)-2,3-dimethylbenzenesulfonamide
CID 61471930
4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 28968050
N-(2-fluoro-5-methylphenyl)methanesulfonamide
CID 3847750
2-amino-N-(2-fluoro-4-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171069
5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 8514846
3-amino-4-bromo-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 115328714
6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329763
2-amino-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide
CID 62143731
6-amino-N-(2-ethylphenyl)-2,3-dimethylbenzenesulfonamide
CID 43257782
N-(2-amino-4-methylphenyl)-2,4,6-trifluorobenzenesulfonamide
CID 60971814

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-fluoro-5-methylphenyl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 6-amino-N-(2-fluoro-5-methylphenyl)-2,3-dimethylbenzenesulfonamide (CID 43258725) is 6-amino-N-(2-fluoro-5-methylphenyl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 6-amino-N-(2-fluoro-5-methylphenyl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 6-amino-N-(2-fluoro-5-methylphenyl)-2,3-dimethylbenzenesulfonamide is Cc1ccc(F)c(NS(=O)(=O)c2c(N)ccc(C)c2C)c1.
What is the InChIKey of 6-amino-N-(2-fluoro-5-methylphenyl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is HOGQDLVBUXZSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-9-4-6-12(16)14(8-9)18-21(19,20)15-11(3)10(2)5-7-13(15)17/h4-8,18H,17H2,1-3H3.
What are the key properties of 6-amino-N-(2-fluoro-5-methylphenyl)-2,3-dimethylbenzenesulfonamide?
6-amino-N-(2-fluoro-5-methylphenyl)-2,3-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 6-amino-N-(2-fluoro-5-methylphenyl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 43258725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).