N-(3,5-dichlorophenyl)-N-(2-oxopropyl)methanesulfonamide

C10H11Cl2NO3S — CID 20524752

IUPACN-(3,5-dichlorophenyl)-N-(2-oxopropyl)methanesulfonamide
SMILESCC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C10H11Cl2NO3S/c1-7(14)6-13(17(2,15)16)10-4-8(11)3-9(12)5-10/h3-5H,6H2,1-2H3
InChIKeyDRNCNCKLBLKWAT-UHFFFAOYSA-N
MW296.18 g/mol
LogP2.35
Rot. Bonds4

About N-(3,5-dichlorophenyl)-N-(2-oxopropyl)methanesulfonamide

N-(3,5-dichlorophenyl)-N-(2-oxopropyl)methanesulfonamide (PubChem CID 20524752) has the molecular formula C10H11Cl2NO3S and a molecular weight of 296.18 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-N-(2-oxopropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-N-(2-oxopropyl)methanesulfonamide
PubChem CID20524752
Molecular FormulaC10H11Cl2NO3S
Molecular Weight296.18 g/mol
Exact Mass294.98
IUPAC NameN-(3,5-dichlorophenyl)-N-(2-oxopropyl)methanesulfonamide
SMILESCC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C10H11Cl2NO3S/c1-7(14)6-13(17(2,15)16)10-4-8(11)3-9(12)5-10/h3-5H,6H2,1-2H3
InChIKeyDRNCNCKLBLKWAT-UHFFFAOYSA-N
XLogP2.35
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dichloro-N-methylsulfonylanilino)propanoic acid
CID 50892451
2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 3138298
N-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide
CID 6964836
2-(3,5-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113156926
2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43895790
N-[(2-chlorophenyl)methyl]-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide
CID 126121425
N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113071997
N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113072003
2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide
CID 846764
3-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113146558
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43881865
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 2289046

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-N-(2-oxopropyl)methanesulfonamide?
The IUPAC name of N-(3,5-dichlorophenyl)-N-(2-oxopropyl)methanesulfonamide (CID 20524752) is N-(3,5-dichlorophenyl)-N-(2-oxopropyl)methanesulfonamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-N-(2-oxopropyl)methanesulfonamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-N-(2-oxopropyl)methanesulfonamide is CC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-(3,5-dichlorophenyl)-N-(2-oxopropyl)methanesulfonamide?
The InChIKey is DRNCNCKLBLKWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3S/c1-7(14)6-13(17(2,15)16)10-4-8(11)3-9(12)5-10/h3-5H,6H2,1-2H3.
What are the key properties of N-(3,5-dichlorophenyl)-N-(2-oxopropyl)methanesulfonamide?
N-(3,5-dichlorophenyl)-N-(2-oxopropyl)methanesulfonamide has a molecular weight of 296.18 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-N-(2-oxopropyl)methanesulfonamide is sourced from PubChem (CID 20524752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).