4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide

C15H17FN2O2S — CID 82845464

IUPAC4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccccc1C(C)NS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C15H17FN2O2S/c1-10-5-3-4-6-13(10)11(2)18-21(19,20)12-7-8-15(17)14(16)9-12/h3-9,11,18H,17H2,1-2H3
InChIKeyFNZBPUUPAWGBQF-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.76
Rot. Bonds4

About 4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide

4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 82845464) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
PubChem CID82845464
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccccc1C(C)NS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C15H17FN2O2S/c1-10-5-3-4-6-13(10)11(2)18-21(19,20)12-7-8-15(17)14(16)9-12/h3-9,11,18H,17H2,1-2H3
InChIKeyFNZBPUUPAWGBQF-UHFFFAOYSA-N
XLogP2.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.76
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-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 82845290
2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 61105076
3-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 61106187
3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169554
4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107868868
4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 26944548
N-[1-(2-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 43298053
3-fluoro-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133202669
N-[1-(2-aminophenyl)ethyl]-3-methylbenzenesulfonamide
CID 43298057
4-amino-3-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 82843640
4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide
CID 82843706
ethyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]propanoate
CID 82844635

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide (CID 82845464) is 4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide is Cc1ccccc1C(C)NS(=O)(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is FNZBPUUPAWGBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-10-5-3-4-6-13(10)11(2)18-21(19,20)12-7-8-15(17)14(16)9-12/h3-9,11,18H,17H2,1-2H3.
What are the key properties of 4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide?
4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.76, 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-[1-(2-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 82845464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).