N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide

C13H13FN2O2S — CID 43604765

IUPACN-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2F)ccc1N
InChIInChI=1S/C13H13FN2O2S/c1-9-8-10(6-7-12(9)15)16-19(17,18)13-5-3-2-4-11(13)14/h2-8,16H,15H2,1H3
InChIKeyDIALNFAIOKJTDE-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.52
Rot. Bonds3

About N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide

N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide (PubChem CID 43604765) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide
PubChem CID43604765
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC NameN-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2F)ccc1N
InChIInChI=1S/C13H13FN2O2S/c1-9-8-10(6-7-12(9)15)16-19(17,18)13-5-3-2-4-11(13)14/h2-8,16H,15H2,1H3
InChIKeyDIALNFAIOKJTDE-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-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 104814667
5-[(2-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519696
2-amino-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 24707503
N-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide
CID 43330093
2-amino-5-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811281
2-amino-N-(4-fluoro-3-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 62809296
N-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 43604849
N-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326089
N-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide
CID 39375386
N-(3-bromophenyl)-2-fluorobenzenesulfonamide
CID 4788445
2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide
CID 104775446
N-(5-amino-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 16773575

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide (CID 43604765) is N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccccc2F)ccc1N.
What is the InChIKey of N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is DIALNFAIOKJTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-9-8-10(6-7-12(9)15)16-19(17,18)13-5-3-2-4-11(13)14/h2-8,16H,15H2,1H3.
What are the key properties of N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide?
N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide 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-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 43604765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).