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

C15H17FN2O2S — CID 107326089

IUPACN-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2c(C)cc(F)cc2C)ccc1N
InChIInChI=1S/C15H17FN2O2S/c1-9-8-13(4-5-14(9)17)18-21(19,20)15-10(2)6-12(16)7-11(15)3/h4-8,18H,17H2,1-3H3
InChIKeyZQOAOEXWQSDISX-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.13
Rot. Bonds3

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

N-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107326089) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107326089
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2c(C)cc(F)cc2C)ccc1N
InChIInChI=1S/C15H17FN2O2S/c1-9-8-13(4-5-14(9)17)18-21(19,20)15-10(2)6-12(16)7-11(15)3/h4-8,18H,17H2,1-3H3
InChIKeyZQOAOEXWQSDISX-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

N-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 43604849
4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 107327721
4-amino-N-(4-fluoro-3-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 79569216
N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326533
4-fluoro-N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 107327223
4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
CID 79557755
5-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-2-methylbenzoic acid
CID 146121517
N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 43604765
N-(4-cyanophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326514
4-amino-N-(3-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 79589093
4-fluoro-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 107326957
3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257764

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107326089) is N-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is Cc1cc(NS(=O)(=O)c2c(C)cc(F)cc2C)ccc1N.
What is the InChIKey of N-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is ZQOAOEXWQSDISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-9-8-13(4-5-14(9)17)18-21(19,20)15-10(2)6-12(16)7-11(15)3/h4-8,18H,17H2,1-3H3.
What are the key properties of N-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-(4-amino-3-methylphenyl)-4-fluoro-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 N-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107326089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).