N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzenesulfonamide

C15H17FN2O2S — CID 43551076

IUPACN-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(F)ccc2C)cc1N
InChIInChI=1S/C15H17FN2O2S/c1-3-11-5-7-13(9-14(11)17)18-21(19,20)15-8-12(16)6-4-10(15)2/h4-9,18H,3,17H2,1-2H3
InChIKeyWVIQPZRHJUXUOP-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.08
Rot. Bonds4

About N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzenesulfonamide

N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 43551076) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzenesulfonamide
PubChem CID43551076
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(F)ccc2C)cc1N
InChIInChI=1S/C15H17FN2O2S/c1-3-11-5-7-13(9-14(11)17)18-21(19,20)15-8-12(16)6-4-10(15)2/h4-9,18H,3,17H2,1-2H3
InChIKeyWVIQPZRHJUXUOP-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
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)-2,4-difluorobenzenesulfonamide
CID 43551083
N-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43604420
2-amino-5-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811281
2-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298856
5-fluoro-2-methyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 3600793
5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide
CID 29285974
N-[4-(2-bromoethyl)phenyl]-5-fluoro-2-methylbenzenesulfonamide
CID 114296416
N-(5-amino-2,4-difluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43550936
2-(aminomethyl)-5-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061701
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 7040246
N-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide
CID 43551086

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzenesulfonamide (CID 43551076) is N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzenesulfonamide is CCc1ccc(NS(=O)(=O)c2cc(F)ccc2C)cc1N.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is WVIQPZRHJUXUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-3-11-5-7-13(9-14(11)17)18-21(19,20)15-8-12(16)6-4-10(15)2/h4-9,18H,3,17H2,1-2H3.
What are the key properties of N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzenesulfonamide?
N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 3.08, 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)-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 43551076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).