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

C13H13FN2O2S — CID 24708334

IUPACN-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1N
InChIInChI=1S/C13H13FN2O2S/c1-9-5-6-11(8-13(9)15)16-19(17,18)12-4-2-3-10(14)7-12/h2-8,16H,15H2,1H3
InChIKeyZOLBTOXJGMSKDU-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.52
Rot. Bonds3

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

N-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide (PubChem CID 24708334) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide
PubChem CID24708334
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC NameN-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1N
InChIInChI=1S/C13H13FN2O2S/c1-9-5-6-11(8-13(9)15)16-19(17,18)12-4-2-3-10(14)7-12/h2-8,16H,15H2,1H3
InChIKeyZOLBTOXJGMSKDU-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-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 43604849
3-amino-N-(3-bromo-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 104775518
3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 61168279
3-amino-N-(3-iodophenyl)-4-methylbenzenesulfonamide
CID 43124457
N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 39439923
3-fluoro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635821
N-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide
CID 39375386
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide
CID 49186407
3-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298458
N-[3-(aminomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 16778006
3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 56651283
4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide
CID 7938634

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide (CID 24708334) is N-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide?
The InChIKey is ZOLBTOXJGMSKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-9-5-6-11(8-13(9)15)16-19(17,18)12-4-2-3-10(14)7-12/h2-8,16H,15H2,1H3.
What are the key properties of N-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide?
N-(3-amino-4-methylphenyl)-3-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-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 24708334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).