2-amino-4-(3-fluoro-4-methylanilino)-N-methylbenzenesulfonamide

C14H16FN3O2S — CID 80642093

IUPAC2-amino-4-(3-fluoro-4-methylanilino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2ccc(C)c(F)c2)cc1N
InChIInChI=1S/C14H16FN3O2S/c1-9-3-4-10(7-12(9)15)18-11-5-6-14(13(16)8-11)21(19,20)17-2/h3-8,17-18H,16H2,1-2H3
InChIKeyRIPRILPXACPGKR-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.37
Rot. Bonds4

About 2-amino-4-(3-fluoro-4-methylanilino)-N-methylbenzenesulfonamide

2-amino-4-(3-fluoro-4-methylanilino)-N-methylbenzenesulfonamide (PubChem CID 80642093) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-amino-4-(3-fluoro-4-methylanilino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(3-fluoro-4-methylanilino)-N-methylbenzenesulfonamide
PubChem CID80642093
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name2-amino-4-(3-fluoro-4-methylanilino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2ccc(C)c(F)c2)cc1N
InChIInChI=1S/C14H16FN3O2S/c1-9-3-4-10(7-12(9)15)18-11-5-6-14(13(16)8-11)21(19,20)17-2/h3-8,17-18H,16H2,1-2H3
InChIKeyRIPRILPXACPGKR-UHFFFAOYSA-N
XLogP2.37
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298856
2-amino-N-methyl-4-(2-sulfamoylethylamino)benzenesulfonamide
CID 80645656
2-amino-4-(2,5-dichloroanilino)-N-methylbenzenesulfonamide
CID 80640845
2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 80645934
2-amino-N-methyl-4-(octylamino)benzenesulfonamide
CID 115566200
2-amino-4-(4-methoxybutylamino)-N-methylbenzenesulfonamide
CID 80646158
2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate
CID 83202387
3-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 116791365
2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 80646367
5-amino-2-(4-fluoro-3-methylanilino)-N-methylbenzenesulfonamide
CID 103287011
2-amino-N-methyl-4-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 80646231
2-amino-N-methyl-4-[(4-methylthiophen-3-yl)methylamino]benzenesulfonamide
CID 80646024

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-fluoro-4-methylanilino)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-(3-fluoro-4-methylanilino)-N-methylbenzenesulfonamide (CID 80642093) is 2-amino-4-(3-fluoro-4-methylanilino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-(3-fluoro-4-methylanilino)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-(3-fluoro-4-methylanilino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Nc2ccc(C)c(F)c2)cc1N.
What is the InChIKey of 2-amino-4-(3-fluoro-4-methylanilino)-N-methylbenzenesulfonamide?
The InChIKey is RIPRILPXACPGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-9-3-4-10(7-12(9)15)18-11-5-6-14(13(16)8-11)21(19,20)17-2/h3-8,17-18H,16H2,1-2H3.
What are the key properties of 2-amino-4-(3-fluoro-4-methylanilino)-N-methylbenzenesulfonamide?
2-amino-4-(3-fluoro-4-methylanilino)-N-methylbenzenesulfonamide has a molecular weight of 309.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-fluoro-4-methylanilino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 80642093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).