3-amino-N-(2,5-dichlorophenyl)-4-(diethylamino)benzenesulfonamide

C16H19Cl2N3O2S — CID 3831399

IUPAC3-amino-N-(2,5-dichlorophenyl)-4-(diethylamino)benzenesulfonamide
SMILESCCN(CC)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1N
InChIInChI=1S/C16H19Cl2N3O2S/c1-3-21(4-2)16-8-6-12(10-14(16)19)24(22,23)20-15-9-11(17)5-7-13(15)18/h5-10,20H,3-4,19H2,1-2H3
InChIKeyPIYFJXVVZQBVGX-UHFFFAOYSA-N
MW388.32 g/mol
LogP4.22
Rot. Bonds6

About 3-amino-N-(2,5-dichlorophenyl)-4-(diethylamino)benzenesulfonamide

3-amino-N-(2,5-dichlorophenyl)-4-(diethylamino)benzenesulfonamide (PubChem CID 3831399) has the molecular formula C16H19Cl2N3O2S and a molecular weight of 388.32 g/mol. Its IUPAC name is 3-amino-N-(2,5-dichlorophenyl)-4-(diethylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,5-dichlorophenyl)-4-(diethylamino)benzenesulfonamide
PubChem CID3831399
Molecular FormulaC16H19Cl2N3O2S
Molecular Weight388.32 g/mol
Exact Mass387.06
IUPAC Name3-amino-N-(2,5-dichlorophenyl)-4-(diethylamino)benzenesulfonamide
SMILESCCN(CC)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1N
InChIInChI=1S/C16H19Cl2N3O2S/c1-3-21(4-2)16-8-6-12(10-14(16)19)24(22,23)20-15-9-11(17)5-7-13(15)18/h5-10,20H,3-4,19H2,1-2H3
InChIKeyPIYFJXVVZQBVGX-UHFFFAOYSA-N
XLogP4.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N4-(3-chloro-2-(piperidin-1-yl)phenyl)-N1,N1-dimethylbenzene-1,4-disulfonamide
CID 154578372
3-amino-N-(2,5-dichlorophenyl)-4-(pyrrolidin-1-yl)benzene-1-sulfonamide
CID 3840199
3-amino-N-(2,5-dichlorophenyl)-4-(morpholin-4-yl)benzene-1-sulfonamide
CID 3866644
3-Amino-4-chloro-N-ethyl-N-phenylbenzenesulfonamide
CID 3774261
N-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
CID 4884602
N-(2-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
CID 4884619
3-amino-N-(2-chlorophenyl)-4-(piperidin-1-yl)benzene-1-sulfonamide
CID 3713455
2-chloro-N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]benzenesulfonamide
CID 2998794
1-[5-[(2,5-Dichlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]-3-methylthiourea
CID 4354468
3-amino-N-(2-chlorophenyl)-4-(pyrrolidin-1-yl)benzene-1-sulfonamide
CID 4989913
N-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline
CID 7963357
N-(3-chlorophenyl)-4-(dipropylamino)-3,5-dinitrobenzenesulfonamide
CID 11408470

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-dichlorophenyl)-4-(diethylamino)benzenesulfonamide?
The IUPAC name of 3-amino-N-(2,5-dichlorophenyl)-4-(diethylamino)benzenesulfonamide (CID 3831399) is 3-amino-N-(2,5-dichlorophenyl)-4-(diethylamino)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2,5-dichlorophenyl)-4-(diethylamino)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(2,5-dichlorophenyl)-4-(diethylamino)benzenesulfonamide is CCN(CC)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1N.
What is the InChIKey of 3-amino-N-(2,5-dichlorophenyl)-4-(diethylamino)benzenesulfonamide?
The InChIKey is PIYFJXVVZQBVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2S/c1-3-21(4-2)16-8-6-12(10-14(16)19)24(22,23)20-15-9-11(17)5-7-13(15)18/h5-10,20H,3-4,19H2,1-2H3.
What are the key properties of 3-amino-N-(2,5-dichlorophenyl)-4-(diethylamino)benzenesulfonamide?
3-amino-N-(2,5-dichlorophenyl)-4-(diethylamino)benzenesulfonamide has a molecular weight of 388.32 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-dichlorophenyl)-4-(diethylamino)benzenesulfonamide is sourced from PubChem (CID 3831399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).