N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide

C13H13FN2O2S — CID 63258167

IUPACN-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cc(F)ccc2N)c1
InChIInChI=1S/C13H13FN2O2S/c1-9-3-2-4-11(7-9)19(17,18)16-13-8-10(14)5-6-12(13)15/h2-8,16H,15H2,1H3
InChIKeyXPLDGMGPZLYZIZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.52
Rot. Bonds3

About N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide

N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide (PubChem CID 63258167) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide
PubChem CID63258167
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC NameN-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cc(F)ccc2N)c1
InChIInChI=1S/C13H13FN2O2S/c1-9-3-2-4-11(7-9)19(17,18)16-13-8-10(14)5-6-12(13)15/h2-8,16H,15H2,1H3
InChIKeyXPLDGMGPZLYZIZ-UHFFFAOYSA-N
XLogP2.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.52
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-(2-amino-5-fluorophenyl)-3,5-dimethylbenzenesulfonamide
CID 63257001
N-(5-amino-2-fluorophenyl)-3-methylbenzenesulfonamide
CID 16773976
3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 16790210
N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide
CID 3811845
N-[4-(2,4-difluoroanilino)phenyl]-3-methylbenzenesulfonamide
CID 112989459
N-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 63257691
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
N-(2-amino-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 43259163
3-fluoro-N-(2-hydroxy-5-methylphenyl)benzenesulfonamide
CID 54937318
3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide
CID 43256407

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide (CID 63258167) is N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2cc(F)ccc2N)c1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide?
The InChIKey is XPLDGMGPZLYZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-9-3-2-4-11(7-9)19(17,18)16-13-8-10(14)5-6-12(13)15/h2-8,16H,15H2,1H3.
What are the key properties of N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide?
N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide has a molecular weight of 280.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 63258167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).