2-(4-fluorophenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide

C17H18FN3O4S — CID 110617588

IUPAC2-(4-fluorophenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide
SMILESO=c1[nH]c2ccccc2n1CCNS(=O)(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O4S/c18-13-5-7-14(8-6-13)25-11-12-26(23,24)19-9-10-21-16-4-2-1-3-15(16)20-17(21)22/h1-8,19H,9-12H2,(H,20,22)
InChIKeyMXWZMPLYRLJADJ-UHFFFAOYSA-N
MW379.41 g/mol
LogP1.47
Rot. Bonds8

About 2-(4-fluorophenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide

2-(4-fluorophenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide (PubChem CID 110617588) has the molecular formula C17H18FN3O4S and a molecular weight of 379.41 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide
PubChem CID110617588
Molecular FormulaC17H18FN3O4S
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name2-(4-fluorophenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide
SMILESO=c1[nH]c2ccccc2n1CCNS(=O)(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O4S/c18-13-5-7-14(8-6-13)25-11-12-26(23,24)19-9-10-21-16-4-2-1-3-15(16)20-17(21)22/h1-8,19H,9-12H2,(H,20,22)
InChIKeyMXWZMPLYRLJADJ-UHFFFAOYSA-N
XLogP1.47
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide
CID 110400794
N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenylmethanesulfonamide
CID 110603181
3-(3-phenoxypropyl)-1H-benzimidazol-2-one
CID 649414
3-[3-(4-aminophenoxy)propyl]-1H-benzimidazol-2-one
CID 61035080
4-[3-(2-oxo-3H-benzimidazol-1-yl)propoxy]benzaldehyde
CID 38898419
N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide
CID 110288272
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]butane-1-sulfonamide
CID 110396484
2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide
CID 110419711
N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide
CID 90518502
2-(4-fluorophenoxy)-N-(2-piperidin-1-ylsulfonylethyl)ethanesulfonamide
CID 110306666
phenyl N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]carbamate
CID 110400773
3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide
CID 110400828

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide (CID 110617588) is 2-(4-fluorophenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide is O=c1[nH]c2ccccc2n1CCNS(=O)(=O)CCOc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide?
The InChIKey is MXWZMPLYRLJADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4S/c18-13-5-7-14(8-6-13)25-11-12-26(23,24)19-9-10-21-16-4-2-1-3-15(16)20-17(21)22/h1-8,19H,9-12H2,(H,20,22).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide?
2-(4-fluorophenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide has a molecular weight of 379.41 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 110617588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).