N-butan-2-yl-3,3-difluorocyclobutane-1-sulfonamide

C8H15F2NO2S — CID 134403425

IUPACN-butan-2-yl-3,3-difluorocyclobutane-1-sulfonamide
SMILESCCC(C)NS(=O)(=O)C1CC(F)(F)C1
InChIInChI=1S/C8H15F2NO2S/c1-3-6(2)11-14(12,13)7-4-8(9,10)5-7/h6-7,11H,3-5H2,1-2H3
InChIKeyNXLFQURMFCQILW-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.50
Rot. Bonds4

About N-butan-2-yl-3,3-difluorocyclobutane-1-sulfonamide

N-butan-2-yl-3,3-difluorocyclobutane-1-sulfonamide (PubChem CID 134403425) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-butan-2-yl-3,3-difluorocyclobutane-1-sulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-3,3-difluorocyclobutane-1-sulfonamide
PubChem CID134403425
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC NameN-butan-2-yl-3,3-difluorocyclobutane-1-sulfonamide
SMILESCCC(C)NS(=O)(=O)C1CC(F)(F)C1
InChIInChI=1S/C8H15F2NO2S/c1-3-6(2)11-14(12,13)7-4-8(9,10)5-7/h6-7,11H,3-5H2,1-2H3
InChIKeyNXLFQURMFCQILW-UHFFFAOYSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3,3-difluorocyclobutane-1-sulfonamide?
The IUPAC name of N-butan-2-yl-3,3-difluorocyclobutane-1-sulfonamide (CID 134403425) is N-butan-2-yl-3,3-difluorocyclobutane-1-sulfonamide.
What is the SMILES notation for N-butan-2-yl-3,3-difluorocyclobutane-1-sulfonamide?
The canonical SMILES for N-butan-2-yl-3,3-difluorocyclobutane-1-sulfonamide is CCC(C)NS(=O)(=O)C1CC(F)(F)C1.
What is the InChIKey of N-butan-2-yl-3,3-difluorocyclobutane-1-sulfonamide?
The InChIKey is NXLFQURMFCQILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c1-3-6(2)11-14(12,13)7-4-8(9,10)5-7/h6-7,11H,3-5H2,1-2H3.
What are the key properties of N-butan-2-yl-3,3-difluorocyclobutane-1-sulfonamide?
N-butan-2-yl-3,3-difluorocyclobutane-1-sulfonamide has a molecular weight of 227.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3,3-difluorocyclobutane-1-sulfonamide is sourced from PubChem (CID 134403425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).