(2R)-2-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C13H12ClFN2O4S — CID 94027303

IUPAC(2R)-2-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)S(=O)(=O)c2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C13H12ClFN2O4S/c1-7-5-12(17-21-7)16-13(18)8(2)22(19,20)9-3-4-11(15)10(14)6-9/h3-6,8H,1-2H3,(H,16,17,18)/t8-/m1/s1
InChIKeyRIDDBABJYXWLDJ-MRVPVSSYSA-N
MW346.77 g/mol
LogP2.58
Rot. Bonds4

About (2R)-2-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2R)-2-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 94027303) has the molecular formula C13H12ClFN2O4S and a molecular weight of 346.77 g/mol. Its IUPAC name is (2R)-2-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID94027303
Molecular FormulaC13H12ClFN2O4S
Molecular Weight346.77 g/mol
Exact Mass346.02
IUPAC Name(2R)-2-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)S(=O)(=O)c2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C13H12ClFN2O4S/c1-7-5-12(17-21-7)16-13(18)8(2)22(19,20)9-3-4-11(15)10(14)6-9/h3-6,8H,1-2H3,(H,16,17,18)/t8-/m1/s1
InChIKeyRIDDBABJYXWLDJ-MRVPVSSYSA-N
XLogP2.58
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2R)-2-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 94027303) is (2R)-2-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)S(=O)(=O)c2ccc(F)c(Cl)c2)no1.
What is the InChIKey of (2R)-2-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is RIDDBABJYXWLDJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12ClFN2O4S/c1-7-5-12(17-21-7)16-13(18)8(2)22(19,20)9-3-4-11(15)10(14)6-9/h3-6,8H,1-2H3,(H,16,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2R)-2-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 346.77 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 94027303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).