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

C14H14F2N2O2S — CID 62057730

IUPAC2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(F)c1N)c1ccccc1F
InChIInChI=1S/C14H14F2N2O2S/c1-9(10-5-2-3-6-11(10)15)18-21(19,20)13-8-4-7-12(16)14(13)17/h2-9,18H,17H2,1H3
InChIKeyVQLHTHRFVWOUTL-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.59
Rot. Bonds4

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

2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide (PubChem CID 62057730) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
PubChem CID62057730
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Name2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(F)c1N)c1ccccc1F
InChIInChI=1S/C14H14F2N2O2S/c1-9(10-5-2-3-6-11(10)15)18-21(19,20)13-8-4-7-12(16)14(13)17/h2-9,18H,17H2,1H3
InChIKeyVQLHTHRFVWOUTL-UHFFFAOYSA-N
XLogP2.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.59
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

2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61107213
2-amino-N-[1-(2-fluorophenyl)ethyl]pyrimidine-5-sulfonamide
CID 62156754
2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 62156932
2-[(2-amino-3-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 106343813
4-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 82845290
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61073267
3-amino-N-[1-(2-fluorophenyl)ethyl]-5-methylbenzenesulfonamide
CID 61107588
2-amino-3-fluoro-N-(2-phenylpropyl)benzenesulfonamide
CID 62057429
4-bromo-2-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 32943683
N-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 54934224
6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 114613295
N-[1-(2-fluorophenyl)ethyl]-2-methylsulfonylaniline
CID 43232220

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide (CID 62057730) is 2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1cccc(F)c1N)c1ccccc1F.
What is the InChIKey of 2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide?
The InChIKey is VQLHTHRFVWOUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-9(10-5-2-3-6-11(10)15)18-21(19,20)13-8-4-7-12(16)14(13)17/h2-9,18H,17H2,1H3.
What are the key properties of 2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide?
2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide has a molecular weight of 312.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 62057730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).