(2S)-N-[1-(2,4-difluorophenyl)cyclobutyl]-2-methoxypropane-1-sulfonamide

C14H19F2NO3S — CID 99844261

IUPAC(2S)-N-[1-(2,4-difluorophenyl)cyclobutyl]-2-methoxypropane-1-sulfonamide
SMILESCO[C@@H](C)CS(=O)(=O)NC1(c2ccc(F)cc2F)CCC1
InChIInChI=1S/C14H19F2NO3S/c1-10(20-2)9-21(18,19)17-14(6-3-7-14)12-5-4-11(15)8-13(12)16/h4-5,8,10,17H,3,6-7,9H2,1-2H3/t10-/m0/s1
InChIKeyCEDRYWDPUIEKIC-JTQLQIEISA-N
MW319.37 g/mol
LogP2.30
Rot. Bonds6

About (2S)-N-[1-(2,4-difluorophenyl)cyclobutyl]-2-methoxypropane-1-sulfonamide

(2S)-N-[1-(2,4-difluorophenyl)cyclobutyl]-2-methoxypropane-1-sulfonamide (PubChem CID 99844261) has the molecular formula C14H19F2NO3S and a molecular weight of 319.37 g/mol. Its IUPAC name is (2S)-N-[1-(2,4-difluorophenyl)cyclobutyl]-2-methoxypropane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-[1-(2,4-difluorophenyl)cyclobutyl]-2-methoxypropane-1-sulfonamide
PubChem CID99844261
Molecular FormulaC14H19F2NO3S
Molecular Weight319.37 g/mol
Exact Mass319.11
IUPAC Name(2S)-N-[1-(2,4-difluorophenyl)cyclobutyl]-2-methoxypropane-1-sulfonamide
SMILESCO[C@@H](C)CS(=O)(=O)NC1(c2ccc(F)cc2F)CCC1
InChIInChI=1S/C14H19F2NO3S/c1-10(20-2)9-21(18,19)17-14(6-3-7-14)12-5-4-11(15)8-13(12)16/h4-5,8,10,17H,3,6-7,9H2,1-2H3/t10-/m0/s1
InChIKeyCEDRYWDPUIEKIC-JTQLQIEISA-N
XLogP2.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(2,4-difluorophenyl)cyclobutyl]-2-methoxypropane-1-sulfonamide?
The IUPAC name of (2S)-N-[1-(2,4-difluorophenyl)cyclobutyl]-2-methoxypropane-1-sulfonamide (CID 99844261) is (2S)-N-[1-(2,4-difluorophenyl)cyclobutyl]-2-methoxypropane-1-sulfonamide.
What is the SMILES notation for (2S)-N-[1-(2,4-difluorophenyl)cyclobutyl]-2-methoxypropane-1-sulfonamide?
The canonical SMILES for (2S)-N-[1-(2,4-difluorophenyl)cyclobutyl]-2-methoxypropane-1-sulfonamide is CO[C@@H](C)CS(=O)(=O)NC1(c2ccc(F)cc2F)CCC1.
What is the InChIKey of (2S)-N-[1-(2,4-difluorophenyl)cyclobutyl]-2-methoxypropane-1-sulfonamide?
The InChIKey is CEDRYWDPUIEKIC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19F2NO3S/c1-10(20-2)9-21(18,19)17-14(6-3-7-14)12-5-4-11(15)8-13(12)16/h4-5,8,10,17H,3,6-7,9H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-N-[1-(2,4-difluorophenyl)cyclobutyl]-2-methoxypropane-1-sulfonamide?
(2S)-N-[1-(2,4-difluorophenyl)cyclobutyl]-2-methoxypropane-1-sulfonamide has a molecular weight of 319.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(2,4-difluorophenyl)cyclobutyl]-2-methoxypropane-1-sulfonamide is sourced from PubChem (CID 99844261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).