(2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-methyloxolane-2-carboxamide

C13H13FN2O4S — CID 99713759

IUPAC(2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-methyloxolane-2-carboxamide
SMILESC[C@@]1(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)CCCO1
InChIInChI=1S/C13H13FN2O4S/c1-13(6-3-7-20-13)12(17)16-21(18,19)11-5-2-4-10(14)9(11)8-15/h2,4-5H,3,6-7H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyCZAPKVSULFYIAZ-ZDUSSCGKSA-N
MW312.32 g/mol
LogP1.07
Rot. Bonds3

About (2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-methyloxolane-2-carboxamide

(2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-methyloxolane-2-carboxamide (PubChem CID 99713759) has the molecular formula C13H13FN2O4S and a molecular weight of 312.32 g/mol. Its IUPAC name is (2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-methyloxolane-2-carboxamide
PubChem CID99713759
Molecular FormulaC13H13FN2O4S
Molecular Weight312.32 g/mol
Exact Mass312.06
IUPAC Name(2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-methyloxolane-2-carboxamide
SMILESC[C@@]1(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)CCCO1
InChIInChI=1S/C13H13FN2O4S/c1-13(6-3-7-20-13)12(17)16-21(18,19)11-5-2-4-10(14)9(11)8-15/h2,4-5H,3,6-7H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyCZAPKVSULFYIAZ-ZDUSSCGKSA-N
XLogP1.07
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-methyloxolane-2-carboxamide?
The IUPAC name of (2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-methyloxolane-2-carboxamide (CID 99713759) is (2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-methyloxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-methyloxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-methyloxolane-2-carboxamide is C[C@@]1(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)CCCO1.
What is the InChIKey of (2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-methyloxolane-2-carboxamide?
The InChIKey is CZAPKVSULFYIAZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H13FN2O4S/c1-13(6-3-7-20-13)12(17)16-21(18,19)11-5-2-4-10(14)9(11)8-15/h2,4-5H,3,6-7H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-methyloxolane-2-carboxamide?
(2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-methyloxolane-2-carboxamide has a molecular weight of 312.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 99713759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).