1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide

C15H15ClFNO2S — CID 42563699

IUPAC1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide
SMILESC[C@@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C15H15ClFNO2S/c1-11(12-6-3-2-4-7-12)18-21(19,20)10-13-14(16)8-5-9-15(13)17/h2-9,11,18H,10H2,1H3/t11-/m1/s1
InChIKeyAOHZXZMDACCRMT-LLVKDONJSA-N
MW327.81 g/mol
LogP3.66
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide

1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide (PubChem CID 42563699) has the molecular formula C15H15ClFNO2S and a molecular weight of 327.81 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide
PubChem CID42563699
Molecular FormulaC15H15ClFNO2S
Molecular Weight327.81 g/mol
Exact Mass327.05
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide
SMILESC[C@@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C15H15ClFNO2S/c1-11(12-6-3-2-4-7-12)18-21(19,20)10-13-14(16)8-5-9-15(13)17/h2-9,11,18H,10H2,1H3/t11-/m1/s1
InChIKeyAOHZXZMDACCRMT-LLVKDONJSA-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-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide
CID 43905570
1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide
CID 43907196
1-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]methanesulfonamide
CID 133161036
1-(2-chloro-6-fluorophenyl)-N-(2-ethylsulfanylphenyl)methanesulfonamide
CID 99951031
1-(2-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 93487236
2-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 839132
1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide
CID 94027446
1-(2-fluorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 93487203
N-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 127508935
1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene
CID 113460186
1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 92673614
1-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]methanesulfonamide
CID 95968877

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide (CID 42563699) is 1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide is C[C@@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccccc1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide?
The InChIKey is AOHZXZMDACCRMT-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15ClFNO2S/c1-11(12-6-3-2-4-7-12)18-21(19,20)10-13-14(16)8-5-9-15(13)17/h2-9,11,18H,10H2,1H3/t11-/m1/s1.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide?
1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]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-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide is sourced from PubChem (CID 42563699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).