N-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-sulfonamide

C12H17FN2O2S — CID 127505076

IUPACN-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCCc1cccc(F)c1)N1CCCC1
InChIInChI=1S/C12H17FN2O2S/c13-12-5-3-4-11(10-12)6-7-14-18(16,17)15-8-1-2-9-15/h3-5,10,14H,1-2,6-9H2
InChIKeyFBZFXBHYKINQLW-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.30
Rot. Bonds5

About N-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-sulfonamide

N-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-sulfonamide (PubChem CID 127505076) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-sulfonamide
PubChem CID127505076
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC NameN-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCCc1cccc(F)c1)N1CCCC1
InChIInChI=1S/C12H17FN2O2S/c13-12-5-3-4-11(10-12)6-7-14-18(16,17)15-8-1-2-9-15/h3-5,10,14H,1-2,6-9H2
InChIKeyFBZFXBHYKINQLW-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(3-fluorophenyl)propanoyl]-N-propylpiperazine-1-sulfonamide
CID 110613992
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
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4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051929
N-(2-pyridin-4-ylethyl)piperidine-1-sulfonamide
CID 110245780
N-[2-(3-fluorophenyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 26996547
N-[2-(3-fluorophenyl)ethyl]-4-nitro-2-pyrrolidin-1-ylsulfonylaniline
CID 34044359
3-amino-N-[2-(3-fluorophenyl)ethyl]propane-1-sulfonamide
CID 54944387
N-[2-(4-methoxyphenyl)ethyl]piperidine-1-sulfonamide
CID 47148921
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(3-fluorophenyl)ethyl]prop-2-enamide
CID 55397769
N-[2-(1H-indazol-5-yl)ethyl]piperidine-1-sulfonamide
CID 126835078
N-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-sulfonamide
CID 55206379
N-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide
CID 127505072

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-sulfonamide (CID 127505076) is N-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-sulfonamide is O=S(=O)(NCCc1cccc(F)c1)N1CCCC1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-sulfonamide?
The InChIKey is FBZFXBHYKINQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c13-12-5-3-4-11(10-12)6-7-14-18(16,17)15-8-1-2-9-15/h3-5,10,14H,1-2,6-9H2.
What are the key properties of N-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-sulfonamide?
N-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-sulfonamide has a molecular weight of 272.34 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 127505076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).