N-(2-aminophenyl)-N-ethyl-2,4-difluorobenzenesulfonamide

C14H14F2N2O2S — CID 62101650

IUPACN-(2-aminophenyl)-N-ethyl-2,4-difluorobenzenesulfonamide
SMILESCCN(c1ccccc1N)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H14F2N2O2S/c1-2-18(13-6-4-3-5-12(13)17)21(19,20)14-8-7-10(15)9-11(14)16/h3-9H,2,17H2,1H3
InChIKeyAKUMUYIMELQDDW-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.76
Rot. Bonds4

About N-(2-aminophenyl)-N-ethyl-2,4-difluorobenzenesulfonamide

N-(2-aminophenyl)-N-ethyl-2,4-difluorobenzenesulfonamide (PubChem CID 62101650) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-ethyl-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-ethyl-2,4-difluorobenzenesulfonamide
PubChem CID62101650
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC NameN-(2-aminophenyl)-N-ethyl-2,4-difluorobenzenesulfonamide
SMILESCCN(c1ccccc1N)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H14F2N2O2S/c1-2-18(13-6-4-3-5-12(13)17)21(19,20)14-8-7-10(15)9-11(14)16/h3-9H,2,17H2,1H3
InChIKeyAKUMUYIMELQDDW-UHFFFAOYSA-N
XLogP2.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.76
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-amino-N-ethyl-4-fluoro-N-phenylbenzenesulfonamide
CID 28514650
N-(2-aminophenyl)-N-ethyl-1,1-difluoromethanesulfonamide
CID 62102958
N-(2-aminophenyl)-3-bromo-N-ethylbenzenesulfonamide
CID 62101486
N-(2-aminophenyl)-N-ethylthiophene-2-sulfonamide
CID 62102311
N-(2-aminophenyl)-N-ethyl-1-methylimidazole-4-sulfonamide
CID 62375606
N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide
CID 63233568
N-(2-aminophenyl)-N,1-diethylimidazole-4-sulfonamide
CID 79373182
3-amino-N-ethyl-4-fluoro-N-(2-methylphenyl)benzenesulfonamide
CID 28548784
N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-2,4-difluorobenzenesulfonamide
CID 62009856
N-(2-aminophenyl)-N,1-diethyl-2-methylimidazole-4-sulfonamide
CID 62102468
2-amino-N-(2,4-difluorophenyl)-N-ethylethanesulfonamide
CID 28794316
N-(3-amino-4-fluorophenyl)-N-ethyl-2-methylbenzenesulfonamide
CID 39444309

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-ethyl-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(2-aminophenyl)-N-ethyl-2,4-difluorobenzenesulfonamide (CID 62101650) is N-(2-aminophenyl)-N-ethyl-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-N-ethyl-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(2-aminophenyl)-N-ethyl-2,4-difluorobenzenesulfonamide is CCN(c1ccccc1N)S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(2-aminophenyl)-N-ethyl-2,4-difluorobenzenesulfonamide?
The InChIKey is AKUMUYIMELQDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-2-18(13-6-4-3-5-12(13)17)21(19,20)14-8-7-10(15)9-11(14)16/h3-9H,2,17H2,1H3.
What are the key properties of N-(2-aminophenyl)-N-ethyl-2,4-difluorobenzenesulfonamide?
N-(2-aminophenyl)-N-ethyl-2,4-difluorobenzenesulfonamide has a molecular weight of 312.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-ethyl-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 62101650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).