2-amino-3-(2,6-dichloroanilino)benzenesulfonamide

C12H11Cl2N3O2S — CID 115992809

IUPAC2-amino-3-(2,6-dichloroanilino)benzenesulfonamide
SMILESNc1c(Nc2c(Cl)cccc2Cl)cccc1S(N)(=O)=O
InChIInChI=1S/C12H11Cl2N3O2S/c13-7-3-1-4-8(14)12(7)17-9-5-2-6-10(11(9)15)20(16,18)19/h1-6,17H,15H2,(H2,16,18,19)
InChIKeyGIAOZSAHVBNYKF-UHFFFAOYSA-N
MW332.21 g/mol
LogP2.97
Rot. Bonds3

About 2-amino-3-(2,6-dichloroanilino)benzenesulfonamide

2-amino-3-(2,6-dichloroanilino)benzenesulfonamide (PubChem CID 115992809) has the molecular formula C12H11Cl2N3O2S and a molecular weight of 332.21 g/mol. Its IUPAC name is 2-amino-3-(2,6-dichloroanilino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(2,6-dichloroanilino)benzenesulfonamide
PubChem CID115992809
Molecular FormulaC12H11Cl2N3O2S
Molecular Weight332.21 g/mol
Exact Mass330.99
IUPAC Name2-amino-3-(2,6-dichloroanilino)benzenesulfonamide
SMILESNc1c(Nc2c(Cl)cccc2Cl)cccc1S(N)(=O)=O
InChIInChI=1S/C12H11Cl2N3O2S/c13-7-3-1-4-8(14)12(7)17-9-5-2-6-10(11(9)15)20(16,18)19/h1-6,17H,15H2,(H2,16,18,19)
InChIKeyGIAOZSAHVBNYKF-UHFFFAOYSA-N
XLogP2.97
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(3-chloro-2-fluoroanilino)benzenesulfonamide
CID 115992346
2-amino-3-(3-chloro-4-methylanilino)benzenesulfonamide
CID 115992284
2-amino-3-(3-chloro-4-fluoroanilino)benzenesulfonamide
CID 115992341
2-amino-3-(tert-butylamino)benzenesulfonamide
CID 112674632
2-amino-3-(2,3-dimethylanilino)benzenesulfonamide
CID 115992330
2-amino-3-(2,5-difluoroanilino)benzenesulfonamide
CID 115992299
2-amino-3-(2-bromo-5-methylanilino)benzenesulfonamide
CID 115992915
2-amino-3-(piperidin-1-ylamino)benzenesulfonamide
CID 112675025
2-(2-amino-3-sulfamoylanilino)-2-methylpropanamide
CID 112674844
2-amino-3-(4-fluoro-2-iodoanilino)benzenesulfonamide
CID 115992857
2-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 112674678
2,3-dichloro-N-(2,6-dichlorophenyl)aniline
CID 101290103

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,6-dichloroanilino)benzenesulfonamide?
The IUPAC name of 2-amino-3-(2,6-dichloroanilino)benzenesulfonamide (CID 115992809) is 2-amino-3-(2,6-dichloroanilino)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-(2,6-dichloroanilino)benzenesulfonamide?
The canonical SMILES for 2-amino-3-(2,6-dichloroanilino)benzenesulfonamide is Nc1c(Nc2c(Cl)cccc2Cl)cccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-3-(2,6-dichloroanilino)benzenesulfonamide?
The InChIKey is GIAOZSAHVBNYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2S/c13-7-3-1-4-8(14)12(7)17-9-5-2-6-10(11(9)15)20(16,18)19/h1-6,17H,15H2,(H2,16,18,19).
What are the key properties of 2-amino-3-(2,6-dichloroanilino)benzenesulfonamide?
2-amino-3-(2,6-dichloroanilino)benzenesulfonamide has a molecular weight of 332.21 g/mol, XLogP of 2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,6-dichloroanilino)benzenesulfonamide is sourced from PubChem (CID 115992809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).