N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]-2-fluorobenzamide

C21H20FN3O4S — CID 6461723

IUPACN-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]-2-fluorobenzamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccccn2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C21H20FN3O4S/c1-2-29-20-11-10-16(30(27,28)24-14-15-7-5-6-12-23-15)13-19(20)25-21(26)17-8-3-4-9-18(17)22/h3-13,24H,2,14H2,1H3,(H,25,26)
InChIKeyHCCSUHAPCMJJBL-UHFFFAOYSA-N
MW429.47 g/mol
LogP3.35
Rot. Bonds8

About N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]-2-fluorobenzamide

N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]-2-fluorobenzamide (PubChem CID 6461723) has the molecular formula C21H20FN3O4S and a molecular weight of 429.47 g/mol. Its IUPAC name is N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]-2-fluorobenzamide
PubChem CID6461723
Molecular FormulaC21H20FN3O4S
Molecular Weight429.47 g/mol
Exact Mass429.12
IUPAC NameN-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]-2-fluorobenzamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccccn2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C21H20FN3O4S/c1-2-29-20-11-10-16(30(27,28)24-14-15-7-5-6-12-23-15)13-19(20)25-21(26)17-8-3-4-9-18(17)22/h3-13,24H,2,14H2,1H3,(H,25,26)
InChIKeyHCCSUHAPCMJJBL-UHFFFAOYSA-N
XLogP3.35
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]-2-fluorobenzamide (CID 6461723) is N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]-2-fluorobenzamide is CCOc1ccc(S(=O)(=O)NCc2ccccn2)cc1NC(=O)c1ccccc1F.
What is the InChIKey of N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]-2-fluorobenzamide?
The InChIKey is HCCSUHAPCMJJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4S/c1-2-29-20-11-10-16(30(27,28)24-14-15-7-5-6-12-23-15)13-19(20)25-21(26)17-8-3-4-9-18(17)22/h3-13,24H,2,14H2,1H3,(H,25,26).
What are the key properties of N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]-2-fluorobenzamide?
N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]-2-fluorobenzamide has a molecular weight of 429.47 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 6461723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).