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

C13H13FN2O2S — CID 16773976

IUPACN-(5-amino-2-fluorophenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cc(N)ccc2F)c1
InChIInChI=1S/C13H13FN2O2S/c1-9-3-2-4-11(7-9)19(17,18)16-13-8-10(15)5-6-12(13)14/h2-8,16H,15H2,1H3
InChIKeyHNIZEUCFJMRVCF-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.52
Rot. Bonds3

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

N-(5-amino-2-fluorophenyl)-3-methylbenzenesulfonamide (PubChem CID 16773976) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-methylbenzenesulfonamide
PubChem CID16773976
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC NameN-(5-amino-2-fluorophenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cc(N)ccc2F)c1
InChIInChI=1S/C13H13FN2O2S/c1-9-3-2-4-11(7-9)19(17,18)16-13-8-10(15)5-6-12(13)14/h2-8,16H,15H2,1H3
InChIKeyHNIZEUCFJMRVCF-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

4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 28968050
N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide
CID 63258167
N-(4-amino-2-cyanophenyl)-3-methylbenzenesulfonamide
CID 43550814
N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 43604966
N-(5-amino-2-fluorophenyl)pyridine-3-sulfonamide
CID 24707183
N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167025
3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide
CID 43256407
N-(5-amino-2-fluorophenyl)-4-ethylbenzenesulfonamide
CID 43604941
N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide
CID 3811845
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-methylbenzenesulfonamide (CID 16773976) is N-(5-amino-2-fluorophenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2cc(N)ccc2F)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-methylbenzenesulfonamide?
The InChIKey is HNIZEUCFJMRVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-9-3-2-4-11(7-9)19(17,18)16-13-8-10(15)5-6-12(13)14/h2-8,16H,15H2,1H3.
What are the key properties of N-(5-amino-2-fluorophenyl)-3-methylbenzenesulfonamide?
N-(5-amino-2-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-(5-amino-2-fluorophenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 16773976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).