5-amino-2-(3-chloro-5-fluoroanilino)benzenesulfonamide

C12H11ClFN3O2S — CID 107363655

IUPAC5-amino-2-(3-chloro-5-fluoroanilino)benzenesulfonamide
SMILESNc1ccc(Nc2cc(F)cc(Cl)c2)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H11ClFN3O2S/c13-7-3-8(14)5-10(4-7)17-11-2-1-9(15)6-12(11)20(16,18)19/h1-6,17H,15H2,(H2,16,18,19)
InChIKeyDIPZIIUVFIPBKA-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.45
Rot. Bonds3

About 5-amino-2-(3-chloro-5-fluoroanilino)benzenesulfonamide

5-amino-2-(3-chloro-5-fluoroanilino)benzenesulfonamide (PubChem CID 107363655) has the molecular formula C12H11ClFN3O2S and a molecular weight of 315.76 g/mol. Its IUPAC name is 5-amino-2-(3-chloro-5-fluoroanilino)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(3-chloro-5-fluoroanilino)benzenesulfonamide
PubChem CID107363655
Molecular FormulaC12H11ClFN3O2S
Molecular Weight315.76 g/mol
Exact Mass315.02
IUPAC Name5-amino-2-(3-chloro-5-fluoroanilino)benzenesulfonamide
SMILESNc1ccc(Nc2cc(F)cc(Cl)c2)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H11ClFN3O2S/c13-7-3-8(14)5-10(4-7)17-11-2-1-9(15)6-12(11)20(16,18)19/h1-6,17H,15H2,(H2,16,18,19)
InChIKeyDIPZIIUVFIPBKA-UHFFFAOYSA-N
XLogP2.45
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.45
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

5-amino-2-(2-chloro-4,6-difluoroanilino)benzenesulfonamide
CID 83074420
5-amino-2-(3-bromo-4-fluoroanilino)benzenesulfonamide
CID 104775562
5-amino-2-(2-chloro-4-cyanoanilino)benzenesulfonamide
CID 107807019
5-amino-2-(2-methylsulfanylanilino)benzenesulfonamide
CID 107643436
1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067195
4-bromo-2-N-(3-chloro-5-fluorophenyl)benzene-1,2-diamine
CID 107363718
3-N-(2-bromo-4-chlorophenyl)-5-fluorobenzene-1,3-diamine
CID 81262109
4-chloro-1-N-(3-chloro-5-fluorophenyl)-5-fluorobenzene-1,2-diamine
CID 107363679
5-amino-3-(4-fluoroanilino)-2-methylbenzenesulfonamide
CID 79896123
5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide
CID 83013156
2-bromo-1-N-(3-chloro-5-methylphenyl)benzene-1,4-diamine
CID 134512576
5-amino-2-(4-fluoro-3-methylanilino)-N-methylbenzenesulfonamide
CID 103287011

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-chloro-5-fluoroanilino)benzenesulfonamide?
The IUPAC name of 5-amino-2-(3-chloro-5-fluoroanilino)benzenesulfonamide (CID 107363655) is 5-amino-2-(3-chloro-5-fluoroanilino)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-(3-chloro-5-fluoroanilino)benzenesulfonamide?
The canonical SMILES for 5-amino-2-(3-chloro-5-fluoroanilino)benzenesulfonamide is Nc1ccc(Nc2cc(F)cc(Cl)c2)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-amino-2-(3-chloro-5-fluoroanilino)benzenesulfonamide?
The InChIKey is DIPZIIUVFIPBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O2S/c13-7-3-8(14)5-10(4-7)17-11-2-1-9(15)6-12(11)20(16,18)19/h1-6,17H,15H2,(H2,16,18,19).
What are the key properties of 5-amino-2-(3-chloro-5-fluoroanilino)benzenesulfonamide?
5-amino-2-(3-chloro-5-fluoroanilino)benzenesulfonamide has a molecular weight of 315.76 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-chloro-5-fluoroanilino)benzenesulfonamide is sourced from PubChem (CID 107363655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).