4-amino-3-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide

C14H15FN2O2S — CID 82843640

IUPAC4-amino-3-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C14H15FN2O2S/c1-10-4-2-3-5-11(10)9-17-20(18,19)12-6-7-14(16)13(15)8-12/h2-8,17H,9,16H2,1H3
InChIKeyPOJOEIKLXVFCGP-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.19
Rot. Bonds4

About 4-amino-3-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide

4-amino-3-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide (PubChem CID 82843640) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide
PubChem CID82843640
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name4-amino-3-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C14H15FN2O2S/c1-10-4-2-3-5-11(10)9-17-20(18,19)12-6-7-14(16)13(15)8-12/h2-8,17H,9,16H2,1H3
InChIKeyPOJOEIKLXVFCGP-UHFFFAOYSA-N
XLogP2.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.19
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

3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60904241
4-amino-3-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 81440805
4-amino-3-fluoro-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 82844259
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 39620815
5-[(2-fluorophenyl)methylsulfamoyl]-2-methylbenzamide
CID 34033824
4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82843843
3-amino-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 29269508
2-amino-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60903343
4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-fluorobenzenesulfonamide
CID 82844047
4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 82844764
4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 82845464
N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-3-fluorobenzenesulfonamide
CID 103828953

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-3-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide (CID 82843640) is 4-amino-3-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-3-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide is Cc1ccccc1CNS(=O)(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is POJOEIKLXVFCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-10-4-2-3-5-11(10)9-17-20(18,19)12-6-7-14(16)13(15)8-12/h2-8,17H,9,16H2,1H3.
What are the key properties of 4-amino-3-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide?
4-amino-3-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 82843640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).