N-(4-aminophenyl)-5-fluoro-N-propylpyridine-3-sulfonamide

C14H16FN3O2S — CID 63234070

IUPACN-(4-aminophenyl)-5-fluoro-N-propylpyridine-3-sulfonamide
SMILESCCCN(c1ccc(N)cc1)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C14H16FN3O2S/c1-2-7-18(13-5-3-12(16)4-6-13)21(19,20)14-8-11(15)9-17-10-14/h3-6,8-10H,2,7,16H2,1H3
InChIKeyOZYVXVAUGRWHOI-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.41
Rot. Bonds5

About N-(4-aminophenyl)-5-fluoro-N-propylpyridine-3-sulfonamide

N-(4-aminophenyl)-5-fluoro-N-propylpyridine-3-sulfonamide (PubChem CID 63234070) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(4-aminophenyl)-5-fluoro-N-propylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-5-fluoro-N-propylpyridine-3-sulfonamide
PubChem CID63234070
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC NameN-(4-aminophenyl)-5-fluoro-N-propylpyridine-3-sulfonamide
SMILESCCCN(c1ccc(N)cc1)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C14H16FN3O2S/c1-2-7-18(13-5-3-12(16)4-6-13)21(19,20)14-8-11(15)9-17-10-14/h3-6,8-10H,2,7,16H2,1H3
InChIKeyOZYVXVAUGRWHOI-UHFFFAOYSA-N
XLogP2.41
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-fluoro-N-propylbenzenesulfonamide
CID 63233678
N-(3-aminophenyl)-N-ethyl-5-fluoropyridine-3-sulfonamide
CID 63229539
N-(4-aminophenyl)-N-propyl-1H-pyrazole-4-sulfonamide
CID 63234157
N-(4-aminophenyl)-4-methyl-N-propylbenzenesulfonamide
CID 63233552
3-fluoro-N-phenyl-N-propylbenzenesulfonamide
CID 142103274
N-(4-aminophenyl)-2-methyl-N-propyl-1,3-thiazole-5-sulfonamide
CID 103413967
N-(4-aminophenyl)-N-propylpropane-2-sulfonamide
CID 63233852
N-[4-(aminomethyl)phenyl]-N-propylpyridine-3-sulfonamide
CID 43275778
4-N-(diethylsulfamoyl)-4-N-propylbenzene-1,4-diamine
CID 63233725
N-(2-bromoethyl)-5-fluoro-N-methylpyridine-3-sulfonamide
CID 80669199
N-(4-aminophenyl)-3,5-dimethyl-N-propyl-1,2-oxazole-4-sulfonamide
CID 63233772
N-(4-aminophenyl)-N-propylbutane-1-sulfonamide
CID 55173436

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-5-fluoro-N-propylpyridine-3-sulfonamide?
The IUPAC name of N-(4-aminophenyl)-5-fluoro-N-propylpyridine-3-sulfonamide (CID 63234070) is N-(4-aminophenyl)-5-fluoro-N-propylpyridine-3-sulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-5-fluoro-N-propylpyridine-3-sulfonamide?
The canonical SMILES for N-(4-aminophenyl)-5-fluoro-N-propylpyridine-3-sulfonamide is CCCN(c1ccc(N)cc1)S(=O)(=O)c1cncc(F)c1.
What is the InChIKey of N-(4-aminophenyl)-5-fluoro-N-propylpyridine-3-sulfonamide?
The InChIKey is OZYVXVAUGRWHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-2-7-18(13-5-3-12(16)4-6-13)21(19,20)14-8-11(15)9-17-10-14/h3-6,8-10H,2,7,16H2,1H3.
What are the key properties of N-(4-aminophenyl)-5-fluoro-N-propylpyridine-3-sulfonamide?
N-(4-aminophenyl)-5-fluoro-N-propylpyridine-3-sulfonamide has a molecular weight of 309.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-5-fluoro-N-propylpyridine-3-sulfonamide is sourced from PubChem (CID 63234070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).