1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide

C19H23ClFNO3S — CID 94027446

IUPAC1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide
SMILESCOc1ccc([C@@H](CC(C)C)NS(=O)(=O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H23ClFNO3S/c1-13(2)11-19(14-7-9-15(25-3)10-8-14)22-26(23,24)12-16-17(20)5-4-6-18(16)21/h4-10,13,19,22H,11-12H2,1-3H3/t19-/m1/s1
InChIKeyMIKMYMPAKQJVKZ-LJQANCHMSA-N
MW399.92 g/mol
LogP4.69
Rot. Bonds8

About 1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide

1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide (PubChem CID 94027446) has the molecular formula C19H23ClFNO3S and a molecular weight of 399.92 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide
PubChem CID94027446
Molecular FormulaC19H23ClFNO3S
Molecular Weight399.92 g/mol
Exact Mass399.11
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide
SMILESCOc1ccc([C@@H](CC(C)C)NS(=O)(=O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H23ClFNO3S/c1-13(2)11-19(14-7-9-15(25-3)10-8-14)22-26(23,24)12-16-17(20)5-4-6-18(16)21/h4-10,13,19,22H,11-12H2,1-3H3/t19-/m1/s1
InChIKeyMIKMYMPAKQJVKZ-LJQANCHMSA-N
XLogP4.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]methanesulfonamide
CID 28569145
1-(3,4-dichlorophenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide
CID 43886465
1-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide
CID 43905570
1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide
CID 43907196
N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(4-methylphenyl)methanesulfonamide
CID 46778569
1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide
CID 42563699
1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide
CID 43907995
methyl 4-[[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]sulfamoylmethyl]benzoate
CID 93486713
1-(2-chloro-6-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
CID 28576901
4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 46764694
1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide
CID 92646316
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 93488254

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide (CID 94027446) is 1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide is COc1ccc([C@@H](CC(C)C)NS(=O)(=O)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide?
The InChIKey is MIKMYMPAKQJVKZ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23ClFNO3S/c1-13(2)11-19(14-7-9-15(25-3)10-8-14)22-26(23,24)12-16-17(20)5-4-6-18(16)21/h4-10,13,19,22H,11-12H2,1-3H3/t19-/m1/s1.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide?
1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide has a molecular weight of 399.92 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide is sourced from PubChem (CID 94027446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).