N-(azepan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide

C10H19F3N2O2S — CID 83058525

IUPACN-(azepan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NC1CCCCNC1
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)5-3-7-18(16,17)15-9-4-1-2-6-14-8-9/h9,14-15H,1-8H2
InChIKeyGPNDVVCZIWALHS-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.39
Rot. Bonds5

About N-(azepan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide

N-(azepan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83058525) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-(azepan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(azepan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83058525
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC NameN-(azepan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NC1CCCCNC1
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)5-3-7-18(16,17)15-9-4-1-2-6-14-8-9/h9,14-15H,1-8H2
InChIKeyGPNDVVCZIWALHS-UHFFFAOYSA-N
XLogP1.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(azepan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(azepan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83058525) is N-(azepan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(azepan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(azepan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NC1CCCCNC1.
What is the InChIKey of N-(azepan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is GPNDVVCZIWALHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c11-10(12,13)5-3-7-18(16,17)15-9-4-1-2-6-14-8-9/h9,14-15H,1-8H2.
What are the key properties of N-(azepan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(azepan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83058525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).