N-[2-(azepan-1-ylsulfonyl)ethyl]-4-fluorobenzamide

C15H21FN2O3S — CID 7423329

IUPACN-[2-(azepan-1-ylsulfonyl)ethyl]-4-fluorobenzamide
SMILESO=C(NCCS(=O)(=O)N1CCCCCC1)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3S/c16-14-7-5-13(6-8-14)15(19)17-9-12-22(20,21)18-10-3-1-2-4-11-18/h5-8H,1-4,9-12H2,(H,17,19)
InChIKeyNETHGQXRXWOIHS-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.76
Rot. Bonds5

About N-[2-(azepan-1-ylsulfonyl)ethyl]-4-fluorobenzamide

N-[2-(azepan-1-ylsulfonyl)ethyl]-4-fluorobenzamide (PubChem CID 7423329) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[2-(azepan-1-ylsulfonyl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(azepan-1-ylsulfonyl)ethyl]-4-fluorobenzamide
PubChem CID7423329
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC NameN-[2-(azepan-1-ylsulfonyl)ethyl]-4-fluorobenzamide
SMILESO=C(NCCS(=O)(=O)N1CCCCCC1)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3S/c16-14-7-5-13(6-8-14)15(19)17-9-12-22(20,21)18-10-3-1-2-4-11-18/h5-8H,1-4,9-12H2,(H,17,19)
InChIKeyNETHGQXRXWOIHS-UHFFFAOYSA-N
XLogP1.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-ylsulfonyl)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(azepan-1-ylsulfonyl)ethyl]-4-fluorobenzamide (CID 7423329) is N-[2-(azepan-1-ylsulfonyl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(azepan-1-ylsulfonyl)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(azepan-1-ylsulfonyl)ethyl]-4-fluorobenzamide is O=C(NCCS(=O)(=O)N1CCCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(azepan-1-ylsulfonyl)ethyl]-4-fluorobenzamide?
The InChIKey is NETHGQXRXWOIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c16-14-7-5-13(6-8-14)15(19)17-9-12-22(20,21)18-10-3-1-2-4-11-18/h5-8H,1-4,9-12H2,(H,17,19).
What are the key properties of N-[2-(azepan-1-ylsulfonyl)ethyl]-4-fluorobenzamide?
N-[2-(azepan-1-ylsulfonyl)ethyl]-4-fluorobenzamide has a molecular weight of 328.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-ylsulfonyl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 7423329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).