N-(2-amino-5-fluorophenyl)-3,5-dimethylbenzenesulfonamide

C14H15FN2O2S — CID 63257001

IUPACN-(2-amino-5-fluorophenyl)-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)Nc2cc(F)ccc2N)c1
InChIInChI=1S/C14H15FN2O2S/c1-9-5-10(2)7-12(6-9)20(18,19)17-14-8-11(15)3-4-13(14)16/h3-8,17H,16H2,1-2H3
InChIKeyQIPYFVDXQBZULN-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.83
Rot. Bonds3

About N-(2-amino-5-fluorophenyl)-3,5-dimethylbenzenesulfonamide

N-(2-amino-5-fluorophenyl)-3,5-dimethylbenzenesulfonamide (PubChem CID 63257001) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-3,5-dimethylbenzenesulfonamide
PubChem CID63257001
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC NameN-(2-amino-5-fluorophenyl)-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)Nc2cc(F)ccc2N)c1
InChIInChI=1S/C14H15FN2O2S/c1-9-5-10(2)7-12(6-9)20(18,19)17-14-8-11(15)3-4-13(14)16/h3-8,17H,16H2,1-2H3
InChIKeyQIPYFVDXQBZULN-UHFFFAOYSA-N
XLogP2.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.83
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-methylbenzenesulfonamide
CID 63258167
3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide
CID 43256407
3-amino-N-(2-fluoro-4-methylphenyl)-5-methylbenzenesulfonamide
CID 43256629
N-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 63257691
N-(2-amino-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 43259163
N-(2-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 63257228
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891
N-(3-amino-2,4-dimethylphenyl)-3,5-dimethylbenzenesulfonamide
CID 60972705
N-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 16774316
N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide
CID 63257823
3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 16790210
N-(2-amino-5-fluorophenyl)-1,1,1-trifluoromethanesulfonamide
CID 63257611

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-3,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-3,5-dimethylbenzenesulfonamide (CID 63257001) is N-(2-amino-5-fluorophenyl)-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-3,5-dimethylbenzenesulfonamide is Cc1cc(C)cc(S(=O)(=O)Nc2cc(F)ccc2N)c1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-3,5-dimethylbenzenesulfonamide?
The InChIKey is QIPYFVDXQBZULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-9-5-10(2)7-12(6-9)20(18,19)17-14-8-11(15)3-4-13(14)16/h3-8,17H,16H2,1-2H3.
What are the key properties of N-(2-amino-5-fluorophenyl)-3,5-dimethylbenzenesulfonamide?
N-(2-amino-5-fluorophenyl)-3,5-dimethylbenzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.83, 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)-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 63257001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).