N-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide

C15H17FN2O2S — CID 63233678

IUPACN-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide
SMILESCCCN(c1ccc(N)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2S/c1-2-11-18(14-7-5-13(17)6-8-14)21(19,20)15-9-3-12(16)4-10-15/h3-10H,2,11,17H2,1H3
InChIKeyWCHIQHVZEHEYMB-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.01
Rot. Bonds5

About N-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide

N-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide (PubChem CID 63233678) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide
PubChem CID63233678
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide
SMILESCCCN(c1ccc(N)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2S/c1-2-11-18(14-7-5-13(17)6-8-14)21(19,20)15-9-3-12(16)4-10-15/h3-10H,2,11,17H2,1H3
InChIKeyWCHIQHVZEHEYMB-UHFFFAOYSA-N
XLogP3.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-4-methyl-N-propylbenzenesulfonamide
CID 63233552
N-(4-aminophenyl)-5-fluoro-N-propylpyridine-3-sulfonamide
CID 63234070
N-(4-aminophenyl)-N-propyl-1H-pyrazole-4-sulfonamide
CID 63234157
N-(4-aminophenyl)-N-propylpropane-2-sulfonamide
CID 63233852
N-(4-aminophenyl)-4-bromo-N-ethylbenzenesulfonamide
CID 63233827
4-N-(diethylsulfamoyl)-4-N-propylbenzene-1,4-diamine
CID 63233725
N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63229929
N-ethyl-4-fluoro-N-propylbenzenesulfonamide
CID 43414951
N-(4-aminophenyl)-N-propylbutane-1-sulfonamide
CID 55173436
N-(4-aminophenyl)-5-chloro-N-propylthiophene-2-sulfonamide
CID 63233810
N-[(4-aminophenyl)methyl]-N-(4-fluorophenyl)methanesulfonamide
CID 100618000
N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502447

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide?
The IUPAC name of N-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide (CID 63233678) is N-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide?
The canonical SMILES for N-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide is CCCN(c1ccc(N)cc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide?
The InChIKey is WCHIQHVZEHEYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-2-11-18(14-7-5-13(17)6-8-14)21(19,20)15-9-3-12(16)4-10-15/h3-10H,2,11,17H2,1H3.
What are the key properties of N-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide?
N-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide is sourced from PubChem (CID 63233678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).