(2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-(cyclopropylmethoxy)propanamide

C14H15FN2O4S — CID 99713764

IUPAC(2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-(cyclopropylmethoxy)propanamide
SMILESC[C@H](OCC1CC1)C(=O)NS(=O)(=O)c1cccc(F)c1C#N
InChIInChI=1S/C14H15FN2O4S/c1-9(21-8-10-5-6-10)14(18)17-22(19,20)13-4-2-3-12(15)11(13)7-16/h2-4,9-10H,5-6,8H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyFDELGTBXPCOHKJ-VIFPVBQESA-N
MW326.35 g/mol
LogP1.32
Rot. Bonds6

About (2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-(cyclopropylmethoxy)propanamide

(2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-(cyclopropylmethoxy)propanamide (PubChem CID 99713764) has the molecular formula C14H15FN2O4S and a molecular weight of 326.35 g/mol. Its IUPAC name is (2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-(cyclopropylmethoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-(cyclopropylmethoxy)propanamide
PubChem CID99713764
Molecular FormulaC14H15FN2O4S
Molecular Weight326.35 g/mol
Exact Mass326.07
IUPAC Name(2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-(cyclopropylmethoxy)propanamide
SMILESC[C@H](OCC1CC1)C(=O)NS(=O)(=O)c1cccc(F)c1C#N
InChIInChI=1S/C14H15FN2O4S/c1-9(21-8-10-5-6-10)14(18)17-22(19,20)13-4-2-3-12(15)11(13)7-16/h2-4,9-10H,5-6,8H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyFDELGTBXPCOHKJ-VIFPVBQESA-N
XLogP1.32
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.32
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-(cyclopropylmethoxy)propanamide?
The IUPAC name of (2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-(cyclopropylmethoxy)propanamide (CID 99713764) is (2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-(cyclopropylmethoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-(cyclopropylmethoxy)propanamide?
The canonical SMILES for (2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-(cyclopropylmethoxy)propanamide is C[C@H](OCC1CC1)C(=O)NS(=O)(=O)c1cccc(F)c1C#N.
What is the InChIKey of (2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-(cyclopropylmethoxy)propanamide?
The InChIKey is FDELGTBXPCOHKJ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15FN2O4S/c1-9(21-8-10-5-6-10)14(18)17-22(19,20)13-4-2-3-12(15)11(13)7-16/h2-4,9-10H,5-6,8H2,1H3,(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-(cyclopropylmethoxy)propanamide?
(2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-(cyclopropylmethoxy)propanamide has a molecular weight of 326.35 g/mol, XLogP of 1.32, 6 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-(cyclopropylmethoxy)propanamide is sourced from PubChem (CID 99713764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).