3-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide

C15H15ClFNO3S — CID 37497059

IUPAC3-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C15H15ClFNO3S/c1-10(11-3-5-12(17)6-4-11)18-22(19,20)13-7-8-15(21-2)14(16)9-13/h3-10,18H,1-2H3/t10-/m0/s1
InChIKeyVJKDRINMUJFYGL-JTQLQIEISA-N
MW343.81 g/mol
LogP3.53
Rot. Bonds5

About 3-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide

3-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 37497059) has the molecular formula C15H15ClFNO3S and a molecular weight of 343.81 g/mol. Its IUPAC name is 3-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
PubChem CID37497059
Molecular FormulaC15H15ClFNO3S
Molecular Weight343.81 g/mol
Exact Mass343.04
IUPAC Name3-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C15H15ClFNO3S/c1-10(11-3-5-12(17)6-4-11)18-22(19,20)13-7-8-15(21-2)14(16)9-13/h3-10,18H,1-2H3/t10-/m0/s1
InChIKeyVJKDRINMUJFYGL-JTQLQIEISA-N
XLogP3.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide (CID 37497059) is 3-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)cc1Cl.
What is the InChIKey of 3-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is VJKDRINMUJFYGL-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15ClFNO3S/c1-10(11-3-5-12(17)6-4-11)18-22(19,20)13-7-8-15(21-2)14(16)9-13/h3-10,18H,1-2H3/t10-/m0/s1.
What are the key properties of 3-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide?
3-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 343.81 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 37497059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).