3-amino-4-(2,4-difluoroanilino)benzenesulfonamide

C12H11F2N3O2S — CID 43153461

IUPAC3-amino-4-(2,4-difluoroanilino)benzenesulfonamide
SMILESNc1cc(S(N)(=O)=O)ccc1Nc1ccc(F)cc1F
InChIInChI=1S/C12H11F2N3O2S/c13-7-1-3-11(9(14)5-7)17-12-4-2-8(6-10(12)15)20(16,18)19/h1-6,17H,15H2,(H2,16,18,19)
InChIKeyUJLWZVJXVPQROQ-UHFFFAOYSA-N
MW299.30 g/mol
LogP1.94
Rot. Bonds3

About 3-amino-4-(2,4-difluoroanilino)benzenesulfonamide

3-amino-4-(2,4-difluoroanilino)benzenesulfonamide (PubChem CID 43153461) has the molecular formula C12H11F2N3O2S and a molecular weight of 299.30 g/mol. Its IUPAC name is 3-amino-4-(2,4-difluoroanilino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(2,4-difluoroanilino)benzenesulfonamide
PubChem CID43153461
Molecular FormulaC12H11F2N3O2S
Molecular Weight299.30 g/mol
Exact Mass299.05
IUPAC Name3-amino-4-(2,4-difluoroanilino)benzenesulfonamide
SMILESNc1cc(S(N)(=O)=O)ccc1Nc1ccc(F)cc1F
InChIInChI=1S/C12H11F2N3O2S/c13-7-1-3-11(9(14)5-7)17-12-4-2-8(6-10(12)15)20(16,18)19/h1-6,17H,15H2,(H2,16,18,19)
InChIKeyUJLWZVJXVPQROQ-UHFFFAOYSA-N
XLogP1.94
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 51.94
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

3-amino-4-(2,4-difluoroanilino)-N-methylbenzenesulfonamide
CID 43449192
3-amino-4-(5-chloro-2-fluoroanilino)benzenesulfonamide
CID 43438429
3-amino-4-(3,4,5-trifluoroanilino)benzenesulfonamide
CID 62809987
3-amino-4-(2,5-difluoroanilino)-N-methylbenzenesulfonamide
CID 43449169
3-amino-4-(2-cyano-3-fluoroanilino)benzenesulfonamide
CID 43580501
3-amino-4-(2-bromoanilino)benzenesulfonamide
CID 43330972
4-amino-3-(2-fluoroanilino)benzenesulfonamide
CID 82907833
2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 115126629
4-amino-3-(5-bromo-4-fluoro-2-methylanilino)benzenesulfonamide
CID 107590941
4-N-(2,4-difluorophenyl)benzene-1,4-diamine
CID 4764057
3-amino-4-(propan-2-ylamino)benzenesulfonamide
CID 43153415
4-amino-3-(2-chloro-4,6-difluoroanilino)benzenesulfonamide
CID 83073033

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,4-difluoroanilino)benzenesulfonamide?
The IUPAC name of 3-amino-4-(2,4-difluoroanilino)benzenesulfonamide (CID 43153461) is 3-amino-4-(2,4-difluoroanilino)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-(2,4-difluoroanilino)benzenesulfonamide?
The canonical SMILES for 3-amino-4-(2,4-difluoroanilino)benzenesulfonamide is Nc1cc(S(N)(=O)=O)ccc1Nc1ccc(F)cc1F.
What is the InChIKey of 3-amino-4-(2,4-difluoroanilino)benzenesulfonamide?
The InChIKey is UJLWZVJXVPQROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2S/c13-7-1-3-11(9(14)5-7)17-12-4-2-8(6-10(12)15)20(16,18)19/h1-6,17H,15H2,(H2,16,18,19).
What are the key properties of 3-amino-4-(2,4-difluoroanilino)benzenesulfonamide?
3-amino-4-(2,4-difluoroanilino)benzenesulfonamide has a molecular weight of 299.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,4-difluoroanilino)benzenesulfonamide is sourced from PubChem (CID 43153461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).