1-(3-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]methanesulfonamide

C15H15ClFNO2S — CID 92671846

IUPAC1-(3-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]methanesulfonamide
SMILESC[C@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C15H15ClFNO2S/c1-11(13-5-7-15(17)8-6-13)18-21(19,20)10-12-3-2-4-14(16)9-12/h2-9,11,18H,10H2,1H3/t11-/m0/s1
InChIKeyPXGYZMQVFLVPCQ-NSHDSACASA-N
MW327.81 g/mol
LogP3.66
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]methanesulfonamide

1-(3-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]methanesulfonamide (PubChem CID 92671846) has the molecular formula C15H15ClFNO2S and a molecular weight of 327.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]methanesulfonamide
PubChem CID92671846
Molecular FormulaC15H15ClFNO2S
Molecular Weight327.81 g/mol
Exact Mass327.05
IUPAC Name1-(3-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]methanesulfonamide
SMILESC[C@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C15H15ClFNO2S/c1-11(13-5-7-15(17)8-6-13)18-21(19,20)10-12-3-2-4-14(16)9-12/h2-9,11,18H,10H2,1H3/t11-/m0/s1
InChIKeyPXGYZMQVFLVPCQ-NSHDSACASA-N
XLogP3.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 43908400
1-(3-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]methanesulfonamide
CID 133188939
N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 94616414
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(3-nitrophenyl)methanesulfonamide
CID 97088385
2-(3-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133202355
1-(2-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 93487236
1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 27210154
1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide
CID 92685740
N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide
CID 81349430
N-chloro-1-(3-chlorophenyl)methanesulfonamide
CID 133063629
1-phenyl-N-[1-(4-phenylphenyl)ethyl]methanesulfonamide
CID 25036786
1-phenyl-N-[(1R)-1-(4-phenylphenyl)ethyl]methanesulfonamide
CID 26529706

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]methanesulfonamide (CID 92671846) is 1-(3-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]methanesulfonamide is C[C@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]methanesulfonamide?
The InChIKey is PXGYZMQVFLVPCQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H15ClFNO2S/c1-11(13-5-7-15(17)8-6-13)18-21(19,20)10-12-3-2-4-14(16)9-12/h2-9,11,18H,10H2,1H3/t11-/m0/s1.
What are the key properties of 1-(3-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]methanesulfonamide?
1-(3-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]methanesulfonamide has a molecular weight of 327.81 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 92671846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).