5-amino-2,4-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide

C14H14F2N2O2S — CID 62001646

IUPAC5-amino-2,4-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1N(C)S(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C14H14F2N2O2S/c1-9-5-3-4-6-13(9)18(2)21(19,20)14-8-12(17)10(15)7-11(14)16/h3-8H,17H2,1-2H3
InChIKeyLBLSCIBQKJEUAG-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.68
Rot. Bonds3

About 5-amino-2,4-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide

5-amino-2,4-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 62001646) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide
PubChem CID62001646
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Name5-amino-2,4-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1N(C)S(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C14H14F2N2O2S/c1-9-5-3-4-6-13(9)18(2)21(19,20)14-8-12(17)10(15)7-11(14)16/h3-8H,17H2,1-2H3
InChIKeyLBLSCIBQKJEUAG-UHFFFAOYSA-N
XLogP2.68
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2,4-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2,3-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 65020929
5-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 62001461
4-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 62001466
2-amino-N,6-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 62002027
3-amino-N,1-dimethyl-N-(2-methylphenyl)pyrazole-4-sulfonamide
CID 62002029
4-amino-2-cyano-N-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 62001649
5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide
CID 29269932
5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 55226750
3-fluoro-N-methyl-N-(2-methylphenyl)pyridine-2-sulfonamide
CID 103299973
4-amino-3-methoxy-N-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 81440430
5-amino-2,4-difluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43563355
3-amino-N-ethyl-4-fluoro-N-(2-methylphenyl)benzenesulfonamide
CID 28548784

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-amino-2,4-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide (CID 62001646) is 5-amino-2,4-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide is Cc1ccccc1N(C)S(=O)(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is LBLSCIBQKJEUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-9-5-3-4-6-13(9)18(2)21(19,20)14-8-12(17)10(15)7-11(14)16/h3-8H,17H2,1-2H3.
What are the key properties of 5-amino-2,4-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide?
5-amino-2,4-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 312.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 62001646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).