1-(3,4-dichlorophenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide

C19H23Cl2NO3S — CID 43886465

IUPAC1-(3,4-dichlorophenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide
SMILESCOc1ccc(C(CC(C)C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H23Cl2NO3S/c1-13(2)10-19(15-5-7-16(25-3)8-6-15)22-26(23,24)12-14-4-9-17(20)18(21)11-14/h4-9,11,13,19,22H,10,12H2,1-3H3
InChIKeyZMUQMCLYCCTSRS-UHFFFAOYSA-N
MW416.37 g/mol
LogP5.21
Rot. Bonds8

About 1-(3,4-dichlorophenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide

1-(3,4-dichlorophenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide (PubChem CID 43886465) has the molecular formula C19H23Cl2NO3S and a molecular weight of 416.37 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide
PubChem CID43886465
Molecular FormulaC19H23Cl2NO3S
Molecular Weight416.37 g/mol
Exact Mass415.08
IUPAC Name1-(3,4-dichlorophenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide
SMILESCOc1ccc(C(CC(C)C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H23Cl2NO3S/c1-13(2)10-19(15-5-7-16(25-3)8-6-15)22-26(23,24)12-14-4-9-17(20)18(21)11-14/h4-9,11,13,19,22H,10,12H2,1-3H3
InChIKeyZMUQMCLYCCTSRS-UHFFFAOYSA-N
XLogP5.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.37
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(4-methylphenyl)methanesulfonamide
CID 46778569
methyl 4-[[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]sulfamoylmethyl]benzoate
CID 93486713
1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide
CID 94027446
methyl 2-chloro-5-[[1-(4-methoxyphenyl)-3-methylbutyl]sulfamoyl]benzoate
CID 133185100
1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide
CID 92646316
1-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]methanesulfonamide
CID 28569145
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 93488254
1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide
CID 43907995
1-(3,4-dichlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]methanesulfonamide
CID 43915985
4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 46764694
1-(3,4-dichlorophenyl)-N-methyl-N-(4-methylpentan-2-yl)methanesulfonamide
CID 56582138
1-(3,4-dichlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide
CID 56513128

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide (CID 43886465) is 1-(3,4-dichlorophenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide is COc1ccc(C(CC(C)C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide?
The InChIKey is ZMUQMCLYCCTSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO3S/c1-13(2)10-19(15-5-7-16(25-3)8-6-15)22-26(23,24)12-14-4-9-17(20)18(21)11-14/h4-9,11,13,19,22H,10,12H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide?
1-(3,4-dichlorophenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide has a molecular weight of 416.37 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide is sourced from PubChem (CID 43886465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).