N-[1-(2,4-dichlorophenyl)ethyl]ethanesulfonamide

C10H13Cl2NO2S — CID 47108536

IUPACN-[1-(2,4-dichlorophenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO2S/c1-3-16(14,15)13-7(2)9-5-4-8(11)6-10(9)12/h4-7,13H,3H2,1-2H3
InChIKeyPQYOJHUITAOFIE-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.99
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)ethyl]ethanesulfonamide

N-[1-(2,4-dichlorophenyl)ethyl]ethanesulfonamide (PubChem CID 47108536) has the molecular formula C10H13Cl2NO2S and a molecular weight of 282.19 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]ethanesulfonamide
PubChem CID47108536
Molecular FormulaC10H13Cl2NO2S
Molecular Weight282.19 g/mol
Exact Mass281.00
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO2S/c1-3-16(14,15)13-7(2)9-5-4-8(11)6-10(9)12/h4-7,13H,3H2,1-2H3
InChIKeyPQYOJHUITAOFIE-UHFFFAOYSA-N
XLogP2.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methoxyethanesulfonamide
CID 95762229
3-[1-(2,4-dichlorophenyl)ethylsulfamoyl]propanoic acid
CID 43095049
N-[1-(2,4-dichlorophenyl)ethyl]-3-(propylamino)propane-1-sulfonamide
CID 106031101
N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 43104897
1-(2,4-dichlorophenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 103864785
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
N-[1-(2,4-dichlorophenyl)ethyl]-3-methylsulfonylpropan-1-amine
CID 54906241
N-[1-(2,4-dichlorophenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79557984
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
CID 61298597
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 75981550
N-[1-(2,4-dichlorophenyl)ethyl]-N-methylmethanesulfonamide
CID 60745550
N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide
CID 55965610

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]ethanesulfonamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]ethanesulfonamide (CID 47108536) is N-[1-(2,4-dichlorophenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]ethanesulfonamide is CCS(=O)(=O)NC(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]ethanesulfonamide?
The InChIKey is PQYOJHUITAOFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2S/c1-3-16(14,15)13-7(2)9-5-4-8(11)6-10(9)12/h4-7,13H,3H2,1-2H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]ethanesulfonamide?
N-[1-(2,4-dichlorophenyl)ethyl]ethanesulfonamide has a molecular weight of 282.19 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 47108536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).