N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide

C14H14F2N2O2S — CID 43551083

IUPACN-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1N
InChIInChI=1S/C14H14F2N2O2S/c1-2-9-3-5-11(8-13(9)17)18-21(19,20)14-6-4-10(15)7-12(14)16/h3-8,18H,2,17H2,1H3
InChIKeyZKAWLASALOUQEN-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.91
Rot. Bonds4

About N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide

N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide (PubChem CID 43551083) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide
PubChem CID43551083
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC NameN-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1N
InChIInChI=1S/C14H14F2N2O2S/c1-2-9-3-5-11(8-13(9)17)18-21(19,20)14-6-4-10(15)7-12(14)16/h3-8,18H,2,17H2,1H3
InChIKeyZKAWLASALOUQEN-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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

N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43551076
2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 31073462
N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide
CID 3377300
2-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298856
N-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 65030660
N-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide
CID 43551086
5-amino-4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide
CID 116529396
2-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-5-fluorobenzenesulfonamide
CID 106067079
N-[5-[(2,4-difluorophenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 134017686
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide
CID 2488296
2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774544
N-[4-(2-bromoethyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 114296387

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide (CID 43551083) is N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide is CCc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1N.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is ZKAWLASALOUQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-2-9-3-5-11(8-13(9)17)18-21(19,20)14-6-4-10(15)7-12(14)16/h3-8,18H,2,17H2,1H3.
What are the key properties of N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide?
N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 312.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 43551083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).