N-(3,4-dichlorophenyl)-3-[methylsulfonyl(propyl)amino]propanamide

C13H18Cl2N2O3S — CID 113136025

IUPACN-(3,4-dichlorophenyl)-3-[methylsulfonyl(propyl)amino]propanamide
SMILESCCCN(CCC(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C13H18Cl2N2O3S/c1-3-7-17(21(2,19)20)8-6-13(18)16-10-4-5-11(14)12(15)9-10/h4-5,9H,3,6-8H2,1-2H3,(H,16,18)
InChIKeyQVQPXDCRSOEPOI-UHFFFAOYSA-N
MW353.27 g/mol
LogP2.99
Rot. Bonds7

About N-(3,4-dichlorophenyl)-3-[methylsulfonyl(propyl)amino]propanamide

N-(3,4-dichlorophenyl)-3-[methylsulfonyl(propyl)amino]propanamide (PubChem CID 113136025) has the molecular formula C13H18Cl2N2O3S and a molecular weight of 353.27 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-[methylsulfonyl(propyl)amino]propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-[methylsulfonyl(propyl)amino]propanamide
PubChem CID113136025
Molecular FormulaC13H18Cl2N2O3S
Molecular Weight353.27 g/mol
Exact Mass352.04
IUPAC NameN-(3,4-dichlorophenyl)-3-[methylsulfonyl(propyl)amino]propanamide
SMILESCCCN(CCC(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C13H18Cl2N2O3S/c1-3-7-17(21(2,19)20)8-6-13(18)16-10-4-5-11(14)12(15)9-10/h4-5,9H,3,6-8H2,1-2H3,(H,16,18)
InChIKeyQVQPXDCRSOEPOI-UHFFFAOYSA-N
XLogP2.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138429
N-(3-chloro-4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135971
3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide
CID 113136739
N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135977
N-(3-chloro-4-fluorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137731
N-(3,5-dichlorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141365
N-(3,4-dichlorophenyl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148609
N-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135966
N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141326
N-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141316
3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113136795
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141358

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-[methylsulfonyl(propyl)amino]propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-[methylsulfonyl(propyl)amino]propanamide (CID 113136025) is N-(3,4-dichlorophenyl)-3-[methylsulfonyl(propyl)amino]propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-[methylsulfonyl(propyl)amino]propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-[methylsulfonyl(propyl)amino]propanamide is CCCN(CCC(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-[methylsulfonyl(propyl)amino]propanamide?
The InChIKey is QVQPXDCRSOEPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3S/c1-3-7-17(21(2,19)20)8-6-13(18)16-10-4-5-11(14)12(15)9-10/h4-5,9H,3,6-8H2,1-2H3,(H,16,18).
What are the key properties of N-(3,4-dichlorophenyl)-3-[methylsulfonyl(propyl)amino]propanamide?
N-(3,4-dichlorophenyl)-3-[methylsulfonyl(propyl)amino]propanamide has a molecular weight of 353.27 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-[methylsulfonyl(propyl)amino]propanamide is sourced from PubChem (CID 113136025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).