4-amino-3-(3,4-dichloroanilino)benzenesulfonamide

C12H11Cl2N3O2S — CID 82907760

IUPAC4-amino-3-(3,4-dichloroanilino)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2N3O2S/c13-9-3-1-7(5-10(9)14)17-12-6-8(20(16,18)19)2-4-11(12)15/h1-6,17H,15H2,(H2,16,18,19)
InChIKeyZMRGUAYQLBEKGT-UHFFFAOYSA-N
MW332.21 g/mol
LogP2.97
Rot. Bonds3

About 4-amino-3-(3,4-dichloroanilino)benzenesulfonamide

4-amino-3-(3,4-dichloroanilino)benzenesulfonamide (PubChem CID 82907760) has the molecular formula C12H11Cl2N3O2S and a molecular weight of 332.21 g/mol. Its IUPAC name is 4-amino-3-(3,4-dichloroanilino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(3,4-dichloroanilino)benzenesulfonamide
PubChem CID82907760
Molecular FormulaC12H11Cl2N3O2S
Molecular Weight332.21 g/mol
Exact Mass330.99
IUPAC Name4-amino-3-(3,4-dichloroanilino)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2N3O2S/c13-9-3-1-7(5-10(9)14)17-12-6-8(20(16,18)19)2-4-11(12)15/h1-6,17H,15H2,(H2,16,18,19)
InChIKeyZMRGUAYQLBEKGT-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

4-amino-3-(4-iodoanilino)benzenesulfonamide
CID 82907832
4-amino-3-(4-propan-2-ylanilino)benzenesulfonamide
CID 82900050
1-N-(3,4-dichlorophenyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43448039
4-amino-3-(4-propylanilino)benzenesulfonamide
CID 82900056
4-amino-3-(4-chloro-3-fluoroanilino)-N-methylbenzenesulfonamide
CID 82898391
4-amino-3-(2-chloro-4,6-difluoroanilino)benzenesulfonamide
CID 83073033
4-amino-3-(2-chloro-6-methylanilino)benzenesulfonamide
CID 82898871
4-amino-3-(2,5-dibromoanilino)benzenesulfonamide
CID 82907244
4-amino-3-(2-fluoroanilino)benzenesulfonamide
CID 82907833
4-amino-3-(2-iodoanilino)benzenesulfonamide
CID 82907987
4-amino-3-chloro-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 18758681
2-chloro-5-(4-sulfamoylanilino)benzoic acid
CID 60860550

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3,4-dichloroanilino)benzenesulfonamide?
The IUPAC name of 4-amino-3-(3,4-dichloroanilino)benzenesulfonamide (CID 82907760) is 4-amino-3-(3,4-dichloroanilino)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(3,4-dichloroanilino)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(3,4-dichloroanilino)benzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-amino-3-(3,4-dichloroanilino)benzenesulfonamide?
The InChIKey is ZMRGUAYQLBEKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2S/c13-9-3-1-7(5-10(9)14)17-12-6-8(20(16,18)19)2-4-11(12)15/h1-6,17H,15H2,(H2,16,18,19).
What are the key properties of 4-amino-3-(3,4-dichloroanilino)benzenesulfonamide?
4-amino-3-(3,4-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 4-amino-3-(3,4-dichloroanilino)benzenesulfonamide is sourced from PubChem (CID 82907760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).