2-amino-N-(3-fluoro-5-methylphenyl)-4,5-dimethylbenzenesulfonamide

C15H17FN2O2S — CID 79041128

IUPAC2-amino-N-(3-fluoro-5-methylphenyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(NS(=O)(=O)c2cc(C)c(C)cc2N)c1
InChIInChI=1S/C15H17FN2O2S/c1-9-4-12(16)8-13(5-9)18-21(19,20)15-7-11(3)10(2)6-14(15)17/h4-8,18H,17H2,1-3H3
InChIKeySUGUCCZTMJMRBI-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.13
Rot. Bonds3

About 2-amino-N-(3-fluoro-5-methylphenyl)-4,5-dimethylbenzenesulfonamide

2-amino-N-(3-fluoro-5-methylphenyl)-4,5-dimethylbenzenesulfonamide (PubChem CID 79041128) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-amino-N-(3-fluoro-5-methylphenyl)-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-fluoro-5-methylphenyl)-4,5-dimethylbenzenesulfonamide
PubChem CID79041128
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name2-amino-N-(3-fluoro-5-methylphenyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(NS(=O)(=O)c2cc(C)c(C)cc2N)c1
InChIInChI=1S/C15H17FN2O2S/c1-9-4-12(16)8-13(5-9)18-21(19,20)15-7-11(3)10(2)6-14(15)17/h4-8,18H,17H2,1-3H3
InChIKeySUGUCCZTMJMRBI-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

5-amino-4-bromo-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 114625894
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 79048625
2-amino-N-(4-fluoro-3-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 62809296
3-amino-5-chloro-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 114379875
5-amino-3-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzenesulfonamide
CID 79041421
2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 28556510
3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 79049233
2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 107571257
2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 43555520
2-amino-N-(2-bromo-5-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 82745864
5-amino-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-sulfonamide
CID 113383255
5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898624

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-fluoro-5-methylphenyl)-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(3-fluoro-5-methylphenyl)-4,5-dimethylbenzenesulfonamide (CID 79041128) is 2-amino-N-(3-fluoro-5-methylphenyl)-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3-fluoro-5-methylphenyl)-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(3-fluoro-5-methylphenyl)-4,5-dimethylbenzenesulfonamide is Cc1cc(F)cc(NS(=O)(=O)c2cc(C)c(C)cc2N)c1.
What is the InChIKey of 2-amino-N-(3-fluoro-5-methylphenyl)-4,5-dimethylbenzenesulfonamide?
The InChIKey is SUGUCCZTMJMRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-9-4-12(16)8-13(5-9)18-21(19,20)15-7-11(3)10(2)6-14(15)17/h4-8,18H,17H2,1-3H3.
What are the key properties of 2-amino-N-(3-fluoro-5-methylphenyl)-4,5-dimethylbenzenesulfonamide?
2-amino-N-(3-fluoro-5-methylphenyl)-4,5-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-(3-fluoro-5-methylphenyl)-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 79041128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).