N-(3,4-dichlorophenyl)-N-methylsulfonylpropanamide

C10H11Cl2NO3S — CID 124927747

IUPACN-(3,4-dichlorophenyl)-N-methylsulfonylpropanamide
SMILESCCC(=O)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C10H11Cl2NO3S/c1-3-10(14)13(17(2,15)16)7-4-5-8(11)9(12)6-7/h4-6H,3H2,1-2H3
InChIKeySROMKJMBFXLCAO-UHFFFAOYSA-N
MW296.18 g/mol
LogP2.70
Rot. Bonds3

About N-(3,4-dichlorophenyl)-N-methylsulfonylpropanamide

N-(3,4-dichlorophenyl)-N-methylsulfonylpropanamide (PubChem CID 124927747) has the molecular formula C10H11Cl2NO3S and a molecular weight of 296.18 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N-methylsulfonylpropanamide
PubChem CID124927747
Molecular FormulaC10H11Cl2NO3S
Molecular Weight296.18 g/mol
Exact Mass294.98
IUPAC NameN-(3,4-dichlorophenyl)-N-methylsulfonylpropanamide
SMILESCCC(=O)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C10H11Cl2NO3S/c1-3-10(14)13(17(2,15)16)7-4-5-8(11)9(12)6-7/h4-6H,3H2,1-2H3
InChIKeySROMKJMBFXLCAO-UHFFFAOYSA-N
XLogP2.70
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichloro-N-methylsulfonylanilino)-N,N-diethylacetamide
CID 113156868
2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide
CID 806054
N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113071916
N-[(2R)-butan-2-yl]-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2286726
N-(cyanomethyl)-N-(3,4-dichlorophenyl)methanesulfonamide
CID 20524760
N-carbonochloridoyl-N-(3,4-dichlorophenyl)carbamoyl chloride
CID 21400337
N-[(3,4-dichlorophenyl)methyl]-N-propylpropanamide
CID 142120101
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 1321675
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide
CID 132668652
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1315632
3,4-dichloro-N-ethyl-N-methylaniline
CID 59726249
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 46764303

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N-methylsulfonylpropanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N-methylsulfonylpropanamide (CID 124927747) is N-(3,4-dichlorophenyl)-N-methylsulfonylpropanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-methylsulfonylpropanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-methylsulfonylpropanamide is CCC(=O)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-methylsulfonylpropanamide?
The InChIKey is SROMKJMBFXLCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3S/c1-3-10(14)13(17(2,15)16)7-4-5-8(11)9(12)6-7/h4-6H,3H2,1-2H3.
What are the key properties of N-(3,4-dichlorophenyl)-N-methylsulfonylpropanamide?
N-(3,4-dichlorophenyl)-N-methylsulfonylpropanamide has a molecular weight of 296.18 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N-methylsulfonylpropanamide is sourced from PubChem (CID 124927747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).