N-(4-fluorophenyl)azepane-1-sulfonamide

C12H17FN2O2S — CID 1258612

IUPACN-(4-fluorophenyl)azepane-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)N1CCCCCC1
InChIInChI=1S/C12H17FN2O2S/c13-11-5-7-12(8-6-11)14-18(16,17)15-9-3-1-2-4-10-15/h5-8,14H,1-4,9-10H2
InChIKeyOMSKIVBKORPSRG-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.36
Rot. Bonds3

About N-(4-fluorophenyl)azepane-1-sulfonamide

N-(4-fluorophenyl)azepane-1-sulfonamide (PubChem CID 1258612) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)azepane-1-sulfonamide
PubChem CID1258612
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC NameN-(4-fluorophenyl)azepane-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)N1CCCCCC1
InChIInChI=1S/C12H17FN2O2S/c13-11-5-7-12(8-6-11)14-18(16,17)15-9-3-1-2-4-10-15/h5-8,14H,1-4,9-10H2
InChIKeyOMSKIVBKORPSRG-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)azepane-1-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)azepane-1-sulfonamide (CID 1258612) is N-(4-fluorophenyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)azepane-1-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)azepane-1-sulfonamide is O=S(=O)(Nc1ccc(F)cc1)N1CCCCCC1.
What is the InChIKey of N-(4-fluorophenyl)azepane-1-sulfonamide?
The InChIKey is OMSKIVBKORPSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c13-11-5-7-12(8-6-11)14-18(16,17)15-9-3-1-2-4-10-15/h5-8,14H,1-4,9-10H2.
What are the key properties of N-(4-fluorophenyl)azepane-1-sulfonamide?
N-(4-fluorophenyl)azepane-1-sulfonamide has a molecular weight of 272.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)azepane-1-sulfonamide is sourced from PubChem (CID 1258612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).