1-(3,4-dichlorophenyl)-N-methyl-N-pentan-3-ylmethanesulfonamide

C13H19Cl2NO2S — CID 56582136

IUPAC1-(3,4-dichlorophenyl)-N-methyl-N-pentan-3-ylmethanesulfonamide
SMILESCCC(CC)N(C)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H19Cl2NO2S/c1-4-11(5-2)16(3)19(17,18)9-10-6-7-12(14)13(15)8-10/h6-8,11H,4-5,9H2,1-3H3
InChIKeyIXCQWLRZNAQEHV-UHFFFAOYSA-N
MW324.27 g/mol
LogP3.94
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-N-methyl-N-pentan-3-ylmethanesulfonamide

1-(3,4-dichlorophenyl)-N-methyl-N-pentan-3-ylmethanesulfonamide (PubChem CID 56582136) has the molecular formula C13H19Cl2NO2S and a molecular weight of 324.27 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-methyl-N-pentan-3-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-methyl-N-pentan-3-ylmethanesulfonamide
PubChem CID56582136
Molecular FormulaC13H19Cl2NO2S
Molecular Weight324.27 g/mol
Exact Mass323.05
IUPAC Name1-(3,4-dichlorophenyl)-N-methyl-N-pentan-3-ylmethanesulfonamide
SMILESCCC(CC)N(C)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H19Cl2NO2S/c1-4-11(5-2)16(3)19(17,18)9-10-6-7-12(14)13(15)8-10/h6-8,11H,4-5,9H2,1-3H3
InChIKeyIXCQWLRZNAQEHV-UHFFFAOYSA-N
XLogP3.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N-methyl-N-(4-methylpentan-2-yl)methanesulfonamide
CID 56582138
N-[(4-chlorophenyl)methyl]-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
CID 56512990
N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
CID 55531353
1-(3,4-dichlorophenyl)-N-ethyl-N-(4-fluorophenyl)methanesulfonamide
CID 56512863
N-[(3,4-dichlorophenyl)methyl]-N-methylmethanesulfonamide
CID 60681368
1-[(3,4-dichlorophenyl)methylsulfonyl]-4-ethylsulfonylpiperazine
CID 56581987
4-[(3,4-dichlorophenyl)methylsulfonyl-methylamino]-N-methylpyridine-2-carboxamide
CID 71849433
1-(3,4-dichlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide
CID 56513128
N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
CID 94336012
1-(3,4-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride
CID 120664609
methyl 4-[[(3,4-dichlorophenyl)methyl-methylsulfamoyl]methyl]benzoate
CID 112822994
4-(benzenesulfonylmethyl)-1,2-dichlorobenzene
CID 10968615

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-N-pentan-3-ylmethanesulfonamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-N-pentan-3-ylmethanesulfonamide (CID 56582136) is 1-(3,4-dichlorophenyl)-N-methyl-N-pentan-3-ylmethanesulfonamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-methyl-N-pentan-3-ylmethanesulfonamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-methyl-N-pentan-3-ylmethanesulfonamide is CCC(CC)N(C)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-methyl-N-pentan-3-ylmethanesulfonamide?
The InChIKey is IXCQWLRZNAQEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO2S/c1-4-11(5-2)16(3)19(17,18)9-10-6-7-12(14)13(15)8-10/h6-8,11H,4-5,9H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-methyl-N-pentan-3-ylmethanesulfonamide?
1-(3,4-dichlorophenyl)-N-methyl-N-pentan-3-ylmethanesulfonamide has a molecular weight of 324.27 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-methyl-N-pentan-3-ylmethanesulfonamide is sourced from PubChem (CID 56582136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).