2-(3,4-dichlorophenyl)ethanesulfonamide

C8H9Cl2NO2S — CID 112639856

IUPAC2-(3,4-dichlorophenyl)ethanesulfonamide
SMILESNS(=O)(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H9Cl2NO2S/c9-7-2-1-6(5-8(7)10)3-4-14(11,12)13/h1-2,5H,3-4H2,(H2,11,12,13)
InChIKeyHDVWVMPYWILAPO-UHFFFAOYSA-N
MW254.14 g/mol
LogP1.82
Rot. Bonds3

About 2-(3,4-dichlorophenyl)ethanesulfonamide

2-(3,4-dichlorophenyl)ethanesulfonamide (PubChem CID 112639856) has the molecular formula C8H9Cl2NO2S and a molecular weight of 254.14 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)ethanesulfonamide
PubChem CID112639856
Molecular FormulaC8H9Cl2NO2S
Molecular Weight254.14 g/mol
Exact Mass252.97
IUPAC Name2-(3,4-dichlorophenyl)ethanesulfonamide
SMILESNS(=O)(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H9Cl2NO2S/c9-7-2-1-6(5-8(7)10)3-4-14(11,12)13/h1-2,5H,3-4H2,(H2,11,12,13)
InChIKeyHDVWVMPYWILAPO-UHFFFAOYSA-N
XLogP1.82
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-diaminophenyl)-2-(3,4-dichlorophenyl)ethanesulfonamide
CID 89166172
4-(7-tert-butylsulfonylheptyl)-1,2-dichlorobenzene
CID 159702488
1,5-bis(3,4-dichlorophenyl)pentan-3-one
CID 70057291
4-(3,4-dichlorophenyl)butanamide
CID 47319689
5-bromo-2-[(3,4-dichlorophenyl)methoxy]benzenesulfonamide
CID 62103693
3-[(3,4-dichlorophenyl)methylsulfonyl]propan-1-ol
CID 82181903
1,2-dichloro-4-(3-chloro-4-methylpentyl)benzene
CID 63460559
O-[3-(3,4-dichlorophenyl)propyl]hydroxylamine;hydrochloride
CID 163543876
2-(3,4-dichlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4784267
N-[(3,4-dichlorophenyl)methyl]-2-ethylsulfonylethanamine
CID 103643069
N-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride
CID 86780512
1-(3,4-dichlorophenyl)-4,4-dimethylpentan-3-amine
CID 43175882

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)ethanesulfonamide?
The IUPAC name of 2-(3,4-dichlorophenyl)ethanesulfonamide (CID 112639856) is 2-(3,4-dichlorophenyl)ethanesulfonamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)ethanesulfonamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)ethanesulfonamide is NS(=O)(=O)CCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)ethanesulfonamide?
The InChIKey is HDVWVMPYWILAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO2S/c9-7-2-1-6(5-8(7)10)3-4-14(11,12)13/h1-2,5H,3-4H2,(H2,11,12,13).
What are the key properties of 2-(3,4-dichlorophenyl)ethanesulfonamide?
2-(3,4-dichlorophenyl)ethanesulfonamide has a molecular weight of 254.14 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)ethanesulfonamide is sourced from PubChem (CID 112639856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).