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

C15H17FN2O2S — CID 79569216

IUPAC4-amino-N-(4-fluoro-3-methylphenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2c(C)cc(N)cc2C)ccc1F
InChIInChI=1S/C15H17FN2O2S/c1-9-8-13(4-5-14(9)16)18-21(19,20)15-10(2)6-12(17)7-11(15)3/h4-8,18H,17H2,1-3H3
InChIKeyAQKMMAWAXYLAMM-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.13
Rot. Bonds3

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

4-amino-N-(4-fluoro-3-methylphenyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 79569216) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-amino-N-(4-fluoro-3-methylphenyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(4-fluoro-3-methylphenyl)-2,6-dimethylbenzenesulfonamide
PubChem CID79569216
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name4-amino-N-(4-fluoro-3-methylphenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2c(C)cc(N)cc2C)ccc1F
InChIInChI=1S/C15H17FN2O2S/c1-9-8-13(4-5-14(9)16)18-21(19,20)15-10(2)6-12(17)7-11(15)3/h4-8,18H,17H2,1-3H3
InChIKeyAQKMMAWAXYLAMM-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

4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
CID 79557755
4-amino-N-(3-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 79589093
N-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326089
2-amino-6-chloro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62810748
2-amino-N-(4-fluoro-3-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 62809296
4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 79569031
3-amino-N-(4-fluoro-3-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 62809980
4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
CID 60985629
2-amino-5-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811281
3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257764
3-amino-5-chloro-N-(4-fluoro-3-methylphenyl)-2-methylbenzenesulfonamide
CID 114379533
4-amino-N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2,6-dimethylbenzenesulfonamide
CID 67174381

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-fluoro-3-methylphenyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(4-fluoro-3-methylphenyl)-2,6-dimethylbenzenesulfonamide (CID 79569216) is 4-amino-N-(4-fluoro-3-methylphenyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(4-fluoro-3-methylphenyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(4-fluoro-3-methylphenyl)-2,6-dimethylbenzenesulfonamide is Cc1cc(NS(=O)(=O)c2c(C)cc(N)cc2C)ccc1F.
What is the InChIKey of 4-amino-N-(4-fluoro-3-methylphenyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is AQKMMAWAXYLAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-9-8-13(4-5-14(9)16)18-21(19,20)15-10(2)6-12(17)7-11(15)3/h4-8,18H,17H2,1-3H3.
What are the key properties of 4-amino-N-(4-fluoro-3-methylphenyl)-2,6-dimethylbenzenesulfonamide?
4-amino-N-(4-fluoro-3-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 4-amino-N-(4-fluoro-3-methylphenyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 79569216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).