N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide

C8H15F3N2O2S — CID 114807161

IUPACN-(2,2,2-trifluoroethyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)N1CCCCCC1
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)7-12-16(14,15)13-5-3-1-2-4-6-13/h12H,1-7H2
InChIKeyGHMADMXBRZHKBT-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.26
Rot. Bonds3

About N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide

N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide (PubChem CID 114807161) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)azepane-1-sulfonamide
PubChem CID114807161
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC NameN-(2,2,2-trifluoroethyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)N1CCCCCC1
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)7-12-16(14,15)13-5-3-1-2-4-6-13/h12H,1-7H2
InChIKeyGHMADMXBRZHKBT-UHFFFAOYSA-N
XLogP1.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide (CID 114807161) is N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide is O=S(=O)(NCC(F)(F)F)N1CCCCCC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide?
The InChIKey is GHMADMXBRZHKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c9-8(10,11)7-12-16(14,15)13-5-3-1-2-4-6-13/h12H,1-7H2.
What are the key properties of N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide?
N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide has a molecular weight of 260.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide is sourced from PubChem (CID 114807161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).