5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide

C15H17FN2O2S — CID 61109520

IUPAC5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(c1ccccc1)N(C)S(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C15H17FN2O2S/c1-11(12-6-4-3-5-7-12)18(2)21(19,20)15-10-13(17)8-9-14(15)16/h3-11H,17H2,1-2H3
InChIKeyQJLVKRXSJHKNIO-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.79
Rot. Bonds4

About 5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide

5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 61109520) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
PubChem CID61109520
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(c1ccccc1)N(C)S(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C15H17FN2O2S/c1-11(12-6-4-3-5-7-12)18(2)21(19,20)15-10-13(17)8-9-14(15)16/h3-11H,17H2,1-2H3
InChIKeyQJLVKRXSJHKNIO-UHFFFAOYSA-N
XLogP2.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 18192076
5-amino-2-fluoro-N-(2-phenylpropyl)benzenesulfonamide
CID 61109845
5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide
CID 43265424
N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
N-[1-(3-aminophenyl)ethyl]-2-bromo-N-methylbenzenesulfonamide
CID 43550366
4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 103697221
5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzamide
CID 61111567
N-[1-(3-aminophenyl)ethyl]-3-fluoro-N-methylpyridine-2-sulfonamide
CID 103298569
N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 47096598
2-bromo-N,4-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 60732273
5-amino-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
CID 113475408
5-bromo-N,2-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 60660954

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide (CID 61109520) is 5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide is CC(c1ccccc1)N(C)S(=O)(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is QJLVKRXSJHKNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-11(12-6-4-3-5-7-12)18(2)21(19,20)15-10-13(17)8-9-14(15)16/h3-11H,17H2,1-2H3.
What are the key properties of 5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide?
5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 61109520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).