(2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluorobutanamide

C11H13ClFNO3S — CID 58245605

IUPAC(2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluorobutanamide
SMILESNC(=O)[C@@H](CCF)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClFNO3S/c12-9-1-3-10(4-2-9)18(16,17)7-8(5-6-13)11(14)15/h1-4,8H,5-7H2,(H2,14,15)/t8-/m0/s1
InChIKeyHUNWAJZFGWUAAP-QMMMGPOBSA-N
MW293.75 g/mol
LogP1.57
Rot. Bonds6

About (2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluorobutanamide

(2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluorobutanamide (PubChem CID 58245605) has the molecular formula C11H13ClFNO3S and a molecular weight of 293.75 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluorobutanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluorobutanamide
PubChem CID58245605
Molecular FormulaC11H13ClFNO3S
Molecular Weight293.75 g/mol
Exact Mass293.03
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluorobutanamide
SMILESNC(=O)[C@@H](CCF)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClFNO3S/c12-9-1-3-10(4-2-9)18(16,17)7-8(5-6-13)11(14)15/h1-4,8H,5-7H2,(H2,14,15)/t8-/m0/s1
InChIKeyHUNWAJZFGWUAAP-QMMMGPOBSA-N
XLogP1.57
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluorobutanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluorobutanamide (CID 58245605) is (2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluorobutanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluorobutanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluorobutanamide is NC(=O)[C@@H](CCF)CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluorobutanamide?
The InChIKey is HUNWAJZFGWUAAP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13ClFNO3S/c12-9-1-3-10(4-2-9)18(16,17)7-8(5-6-13)11(14)15/h1-4,8H,5-7H2,(H2,14,15)/t8-/m0/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluorobutanamide?
(2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluorobutanamide has a molecular weight of 293.75 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluorobutanamide is sourced from PubChem (CID 58245605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).