2-cyclopropyl-N-[1-(2,6-difluorophenyl)cyclobutyl]ethanesulfonamide

C15H19F2NO2S — CID 131963119

IUPAC2-cyclopropyl-N-[1-(2,6-difluorophenyl)cyclobutyl]ethanesulfonamide
SMILESO=S(=O)(CCC1CC1)NC1(c2c(F)cccc2F)CCC1
InChIInChI=1S/C15H19F2NO2S/c16-12-3-1-4-13(17)14(12)15(8-2-9-15)18-21(19,20)10-7-11-5-6-11/h1,3-4,11,18H,2,5-10H2
InChIKeySTQWDDFPMNMJMZ-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.06
Rot. Bonds6

About 2-cyclopropyl-N-[1-(2,6-difluorophenyl)cyclobutyl]ethanesulfonamide

2-cyclopropyl-N-[1-(2,6-difluorophenyl)cyclobutyl]ethanesulfonamide (PubChem CID 131963119) has the molecular formula C15H19F2NO2S and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(2,6-difluorophenyl)cyclobutyl]ethanesulfonamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(2,6-difluorophenyl)cyclobutyl]ethanesulfonamide
PubChem CID131963119
Molecular FormulaC15H19F2NO2S
Molecular Weight315.38 g/mol
Exact Mass315.11
IUPAC Name2-cyclopropyl-N-[1-(2,6-difluorophenyl)cyclobutyl]ethanesulfonamide
SMILESO=S(=O)(CCC1CC1)NC1(c2c(F)cccc2F)CCC1
InChIInChI=1S/C15H19F2NO2S/c16-12-3-1-4-13(17)14(12)15(8-2-9-15)18-21(19,20)10-7-11-5-6-11/h1,3-4,11,18H,2,5-10H2
InChIKeySTQWDDFPMNMJMZ-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(2,6-difluorophenyl)cyclobutyl]ethanesulfonamide?
The IUPAC name of 2-cyclopropyl-N-[1-(2,6-difluorophenyl)cyclobutyl]ethanesulfonamide (CID 131963119) is 2-cyclopropyl-N-[1-(2,6-difluorophenyl)cyclobutyl]ethanesulfonamide.
What is the SMILES notation for 2-cyclopropyl-N-[1-(2,6-difluorophenyl)cyclobutyl]ethanesulfonamide?
The canonical SMILES for 2-cyclopropyl-N-[1-(2,6-difluorophenyl)cyclobutyl]ethanesulfonamide is O=S(=O)(CCC1CC1)NC1(c2c(F)cccc2F)CCC1.
What is the InChIKey of 2-cyclopropyl-N-[1-(2,6-difluorophenyl)cyclobutyl]ethanesulfonamide?
The InChIKey is STQWDDFPMNMJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2S/c16-12-3-1-4-13(17)14(12)15(8-2-9-15)18-21(19,20)10-7-11-5-6-11/h1,3-4,11,18H,2,5-10H2.
What are the key properties of 2-cyclopropyl-N-[1-(2,6-difluorophenyl)cyclobutyl]ethanesulfonamide?
2-cyclopropyl-N-[1-(2,6-difluorophenyl)cyclobutyl]ethanesulfonamide has a molecular weight of 315.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-(2,6-difluorophenyl)cyclobutyl]ethanesulfonamide is sourced from PubChem (CID 131963119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).