3-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzenesulfonamide

C15H13ClFNO3S — CID 39656261

IUPAC3-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC[C@H]1Cc2ccccc2O1)c1cccc(Cl)c1F
InChIInChI=1S/C15H13ClFNO3S/c16-12-5-3-7-14(15(12)17)22(19,20)18-9-11-8-10-4-1-2-6-13(10)21-11/h1-7,11,18H,8-9H2/t11-/m1/s1
InChIKeyYHQRAZAGTGVURB-LLVKDONJSA-N
MW341.79 g/mol
LogP2.76
Rot. Bonds4

About 3-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzenesulfonamide

3-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzenesulfonamide (PubChem CID 39656261) has the molecular formula C15H13ClFNO3S and a molecular weight of 341.79 g/mol. Its IUPAC name is 3-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzenesulfonamide
PubChem CID39656261
Molecular FormulaC15H13ClFNO3S
Molecular Weight341.79 g/mol
Exact Mass341.03
IUPAC Name3-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC[C@H]1Cc2ccccc2O1)c1cccc(Cl)c1F
InChIInChI=1S/C15H13ClFNO3S/c16-12-5-3-7-14(15(12)17)22(19,20)18-9-11-8-10-4-1-2-6-13(10)21-11/h1-7,11,18H,8-9H2/t11-/m1/s1
InChIKeyYHQRAZAGTGVURB-LLVKDONJSA-N
XLogP2.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzenesulfonamide (CID 39656261) is 3-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzenesulfonamide is O=S(=O)(NC[C@H]1Cc2ccccc2O1)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzenesulfonamide?
The InChIKey is YHQRAZAGTGVURB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H13ClFNO3S/c16-12-5-3-7-14(15(12)17)22(19,20)18-9-11-8-10-4-1-2-6-13(10)21-11/h1-7,11,18H,8-9H2/t11-/m1/s1.
What are the key properties of 3-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzenesulfonamide?
3-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzenesulfonamide has a molecular weight of 341.79 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 39656261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).