N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-fluorobenzenesulfonamide

C15H15ClFNO3S — CID 99698240

IUPACN-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-fluorobenzenesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1ccccc1F)c1ccccc1Cl
InChIInChI=1S/C15H15ClFNO3S/c1-21-14(11-6-2-3-7-12(11)16)10-18-22(19,20)15-9-5-4-8-13(15)17/h2-9,14,18H,10H2,1H3/t14-/m0/s1
InChIKeyLUXPKDJKLNMSLU-AWEZNQCLSA-N
MW343.81 g/mol
LogP3.15
Rot. Bonds6

About N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-fluorobenzenesulfonamide

N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-fluorobenzenesulfonamide (PubChem CID 99698240) has the molecular formula C15H15ClFNO3S and a molecular weight of 343.81 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-fluorobenzenesulfonamide
PubChem CID99698240
Molecular FormulaC15H15ClFNO3S
Molecular Weight343.81 g/mol
Exact Mass343.04
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-fluorobenzenesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1ccccc1F)c1ccccc1Cl
InChIInChI=1S/C15H15ClFNO3S/c1-21-14(11-6-2-3-7-12(11)16)10-18-22(19,20)15-9-5-4-8-13(15)17/h2-9,14,18H,10H2,1H3/t14-/m0/s1
InChIKeyLUXPKDJKLNMSLU-AWEZNQCLSA-N
XLogP3.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-fluorobenzenesulfonamide (CID 99698240) is N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-fluorobenzenesulfonamide is CO[C@@H](CNS(=O)(=O)c1ccccc1F)c1ccccc1Cl.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-fluorobenzenesulfonamide?
The InChIKey is LUXPKDJKLNMSLU-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15ClFNO3S/c1-21-14(11-6-2-3-7-12(11)16)10-18-22(19,20)15-9-5-4-8-13(15)17/h2-9,14,18H,10H2,1H3/t14-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-fluorobenzenesulfonamide?
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-fluorobenzenesulfonamide has a molecular weight of 343.81 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 99698240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).