N-(3-amino-4-fluorophenyl)-4-ethyl-N-methylbenzenesulfonamide

C15H17FN2O2S — CID 39444297

IUPACN-(3-amino-4-fluorophenyl)-4-ethyl-N-methylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)c2ccc(F)c(N)c2)cc1
InChIInChI=1S/C15H17FN2O2S/c1-3-11-4-7-13(8-5-11)21(19,20)18(2)12-6-9-14(16)15(17)10-12/h4-10H,3,17H2,1-2H3
InChIKeyZJBYVNHNFFDHBK-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.80
Rot. Bonds4

About N-(3-amino-4-fluorophenyl)-4-ethyl-N-methylbenzenesulfonamide

N-(3-amino-4-fluorophenyl)-4-ethyl-N-methylbenzenesulfonamide (PubChem CID 39444297) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-4-ethyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-4-ethyl-N-methylbenzenesulfonamide
PubChem CID39444297
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-(3-amino-4-fluorophenyl)-4-ethyl-N-methylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)c2ccc(F)c(N)c2)cc1
InChIInChI=1S/C15H17FN2O2S/c1-3-11-4-7-13(8-5-11)21(19,20)18(2)12-6-9-14(16)15(17)10-12/h4-10H,3,17H2,1-2H3
InChIKeyZJBYVNHNFFDHBK-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
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

N-(3-amino-4-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 39444301
4-bromo-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
CID 62001773
N-(3-amino-4-chlorophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 39457127
3-amino-4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934493
N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide
CID 47387538
4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
CID 62001878
5-ethyl-2-fluoroaniline
CID 10630567
N-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide
CID 166311152
2-amino-N-(4-ethylphenyl)-N,4-dimethylbenzenesulfonamide
CID 62003518
N-(3-amino-4-fluorophenyl)-N-ethylmethanesulfonamide
CID 39248117
5-(4-ethylphenyl)-2-fluoroaniline
CID 82078593
N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94661208

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-4-ethyl-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-4-ethyl-N-methylbenzenesulfonamide (CID 39444297) is N-(3-amino-4-fluorophenyl)-4-ethyl-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-4-ethyl-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-4-ethyl-N-methylbenzenesulfonamide is CCc1ccc(S(=O)(=O)N(C)c2ccc(F)c(N)c2)cc1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-4-ethyl-N-methylbenzenesulfonamide?
The InChIKey is ZJBYVNHNFFDHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-3-11-4-7-13(8-5-11)21(19,20)18(2)12-6-9-14(16)15(17)10-12/h4-10H,3,17H2,1-2H3.
What are the key properties of N-(3-amino-4-fluorophenyl)-4-ethyl-N-methylbenzenesulfonamide?
N-(3-amino-4-fluorophenyl)-4-ethyl-N-methylbenzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-4-ethyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 39444297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).