N-(4-amino-2,5-dichlorophenyl)ethanesulfonamide

C8H10Cl2N2O2S — CID 57028316

IUPACN-(4-amino-2,5-dichlorophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(Cl)c(N)cc1Cl
InChIInChI=1S/C8H10Cl2N2O2S/c1-2-15(13,14)12-8-4-5(9)7(11)3-6(8)10/h3-4,12H,2,11H2,1H3
InChIKeyZTEYHFPRQUHPLC-UHFFFAOYSA-N
MW269.15 g/mol
LogP2.34
Rot. Bonds3

About N-(4-amino-2,5-dichlorophenyl)ethanesulfonamide

N-(4-amino-2,5-dichlorophenyl)ethanesulfonamide (PubChem CID 57028316) has the molecular formula C8H10Cl2N2O2S and a molecular weight of 269.15 g/mol. Its IUPAC name is N-(4-amino-2,5-dichlorophenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dichlorophenyl)ethanesulfonamide
PubChem CID57028316
Molecular FormulaC8H10Cl2N2O2S
Molecular Weight269.15 g/mol
Exact Mass267.98
IUPAC NameN-(4-amino-2,5-dichlorophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(Cl)c(N)cc1Cl
InChIInChI=1S/C8H10Cl2N2O2S/c1-2-15(13,14)12-8-4-5(9)7(11)3-6(8)10/h3-4,12H,2,11H2,1H3
InChIKeyZTEYHFPRQUHPLC-UHFFFAOYSA-N
XLogP2.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-chlorophenyl)ethanesulfonamide
CID 16775889
N-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 3637630
4-chloro-3-(ethylsulfonylamino)benzenesulfonamide
CID 61132365
N-(2-chloro-5-fluorophenyl)ethanesulfonamide
CID 107531524
N-(4-amino-5-chloro-2-methylphenyl)-2-methoxyethanesulfonamide
CID 113438985
1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene
CID 114958746
ethyl 3-[(4-amino-5-chloro-2-methylphenyl)sulfamoyl]propanoate
CID 104667743
2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide
CID 106057734
1-bromo-N-(2,5-dichloro-4-methylphenyl)methanesulfonamide
CID 104727985
N-(4-amino-5-chloro-2-hydroxyphenyl)methanesulfonamide
CID 22719137
5-chloro-4-(ethylsulfonylamino)-2-methoxybenzoic acid
CID 43405044
3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide
CID 104726640

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dichlorophenyl)ethanesulfonamide?
The IUPAC name of N-(4-amino-2,5-dichlorophenyl)ethanesulfonamide (CID 57028316) is N-(4-amino-2,5-dichlorophenyl)ethanesulfonamide.
What is the SMILES notation for N-(4-amino-2,5-dichlorophenyl)ethanesulfonamide?
The canonical SMILES for N-(4-amino-2,5-dichlorophenyl)ethanesulfonamide is CCS(=O)(=O)Nc1cc(Cl)c(N)cc1Cl.
What is the InChIKey of N-(4-amino-2,5-dichlorophenyl)ethanesulfonamide?
The InChIKey is ZTEYHFPRQUHPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2S/c1-2-15(13,14)12-8-4-5(9)7(11)3-6(8)10/h3-4,12H,2,11H2,1H3.
What are the key properties of N-(4-amino-2,5-dichlorophenyl)ethanesulfonamide?
N-(4-amino-2,5-dichlorophenyl)ethanesulfonamide has a molecular weight of 269.15 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,5-dichlorophenyl)ethanesulfonamide is sourced from PubChem (CID 57028316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).