1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylpropyl]methanesulfonamide

C16H17Cl2NO2S — CID 38009978

IUPAC1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylpropyl]methanesulfonamide
SMILESCC[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C16H17Cl2NO2S/c1-2-16(12-6-4-3-5-7-12)19-22(20,21)11-13-8-9-14(17)10-15(13)18/h3-10,16,19H,2,11H2,1H3/t16-/m0/s1
InChIKeyMCQYXQNDUZQYAJ-INIZCTEOSA-N
MW358.29 g/mol
LogP4.56
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylpropyl]methanesulfonamide

1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylpropyl]methanesulfonamide (PubChem CID 38009978) has the molecular formula C16H17Cl2NO2S and a molecular weight of 358.29 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylpropyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylpropyl]methanesulfonamide
PubChem CID38009978
Molecular FormulaC16H17Cl2NO2S
Molecular Weight358.29 g/mol
Exact Mass357.04
IUPAC Name1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylpropyl]methanesulfonamide
SMILESCC[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C16H17Cl2NO2S/c1-2-16(12-6-4-3-5-7-12)19-22(20,21)11-13-8-9-14(17)10-15(13)18/h3-10,16,19H,2,11H2,1H3/t16-/m0/s1
InChIKeyMCQYXQNDUZQYAJ-INIZCTEOSA-N
XLogP4.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.29
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide
CID 92685740
1-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide
CID 43905570
1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide
CID 43907995
1-(2,4-dichlorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide
CID 43905164
1-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]methanesulfonamide
CID 92672393
1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide
CID 62305717
3-(2,4-dichlorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 63400282
1-(2,4-dichlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanesulfonamide
CID 133230322
N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 11321835
1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide
CID 92646316
2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide
CID 107651341
[2-(2,4-dichlorophenyl)-1-phenylethyl]hydrazine
CID 105199352

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylpropyl]methanesulfonamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylpropyl]methanesulfonamide (CID 38009978) is 1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylpropyl]methanesulfonamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylpropyl]methanesulfonamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylpropyl]methanesulfonamide is CC[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylpropyl]methanesulfonamide?
The InChIKey is MCQYXQNDUZQYAJ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17Cl2NO2S/c1-2-16(12-6-4-3-5-7-12)19-22(20,21)11-13-8-9-14(17)10-15(13)18/h3-10,16,19H,2,11H2,1H3/t16-/m0/s1.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylpropyl]methanesulfonamide?
1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylpropyl]methanesulfonamide has a molecular weight of 358.29 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylpropyl]methanesulfonamide is sourced from PubChem (CID 38009978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).