N-[1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide

C16H19FN2O3S2 — CID 71458649

IUPACN-[1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2cccc(F)c2)C1)c1cccs1
InChIInChI=1S/C16H19FN2O3S2/c17-13-3-1-4-15(11-13)22-9-8-19-7-6-14(12-19)18-24(20,21)16-5-2-10-23-16/h1-5,10-11,14,18H,6-9,12H2
InChIKeyBUGXDURAZFUGEK-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.32
Rot. Bonds7

About N-[1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide

N-[1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 71458649) has the molecular formula C16H19FN2O3S2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
PubChem CID71458649
Molecular FormulaC16H19FN2O3S2
Molecular Weight370.47 g/mol
Exact Mass370.08
IUPAC NameN-[1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2cccc(F)c2)C1)c1cccs1
InChIInChI=1S/C16H19FN2O3S2/c17-13-3-1-4-15(11-13)22-9-8-19-7-6-14(12-19)18-24(20,21)16-5-2-10-23-16/h1-5,10-11,14,18H,6-9,12H2
InChIKeyBUGXDURAZFUGEK-UHFFFAOYSA-N
XLogP2.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Phenoxyethyl)-4-thiophen-2-ylsulfonylpiperazine
CID 8745174
N-[1-(2-phenoxyethyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 55479093
5-chloro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71449642
N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 71451454
N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71451457
5-chloro-N-[1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71453279
3,4-difluoro-N-[1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-3-yl]benzenesulfonamide
CID 71455001
N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71456781
4-fluoro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]benzenesulfonamide
CID 71456782
5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71458625
4-fluoro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidin-3-yl]benzenesulfonamide
CID 71458652
N-[1-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71462179

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide (CID 71458649) is N-[1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide is O=S(=O)(NC1CCN(CCOc2cccc(F)c2)C1)c1cccs1.
What is the InChIKey of N-[1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is BUGXDURAZFUGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3S2/c17-13-3-1-4-15(11-13)22-9-8-19-7-6-14(12-19)18-24(20,21)16-5-2-10-23-16/h1-5,10-11,14,18H,6-9,12H2.
What are the key properties of N-[1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
N-[1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 370.47 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 71458649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).