N-(2-aminopropyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide

C14H20FN3O3S — CID 119050679

IUPACN-(2-aminopropyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCC(N)CNS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1
InChIInChI=1S/C14H20FN3O3S/c1-10(16)9-17-22(20,21)11-4-5-12(13(15)8-11)14(19)18-6-2-3-7-18/h4-5,8,10,17H,2-3,6-7,9,16H2,1H3
InChIKeyYDIWSOSTBIFXRF-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.69
Rot. Bonds5

About N-(2-aminopropyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide

N-(2-aminopropyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 119050679) has the molecular formula C14H20FN3O3S and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(2-aminopropyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID119050679
Molecular FormulaC14H20FN3O3S
Molecular Weight329.40 g/mol
Exact Mass329.12
IUPAC NameN-(2-aminopropyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCC(N)CNS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1
InChIInChI=1S/C14H20FN3O3S/c1-10(16)9-17-22(20,21)11-4-5-12(13(15)8-11)14(19)18-6-2-3-7-18/h4-5,8,10,17H,2-3,6-7,9,16H2,1H3
InChIKeyYDIWSOSTBIFXRF-UHFFFAOYSA-N
XLogP0.69
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminobutyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 120583476
3-fluoro-N-[2-(propylamino)ethyl]-4-(pyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 120716388
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109058905
N-(2-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 119050680
N-(2-ethylhexyl)-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 133229560
4-amino-3-(4-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
CID 86739982
N-ethyl-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 27658634
N-(2-aminopropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 55230484
N-[4-[[3-fluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 59230303
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-fluoro-4-methylbenzenesulfonamide
CID 60534962
N-[(2S)-3-methylbutan-2-yl]-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 100568152
4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82843843

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2-aminopropyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 119050679) is N-(2-aminopropyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-aminopropyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2-aminopropyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide is CC(N)CNS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1.
What is the InChIKey of N-(2-aminopropyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is YDIWSOSTBIFXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3S/c1-10(16)9-17-22(20,21)11-4-5-12(13(15)8-11)14(19)18-6-2-3-7-18/h4-5,8,10,17H,2-3,6-7,9,16H2,1H3.
What are the key properties of N-(2-aminopropyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
N-(2-aminopropyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 329.40 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 119050679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).