4-amino-3-(2-fluoroanilino)benzenesulfonamide

C12H12FN3O2S — CID 82907833

IUPAC4-amino-3-(2-fluoroanilino)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1Nc1ccccc1F
InChIInChI=1S/C12H12FN3O2S/c13-9-3-1-2-4-11(9)16-12-7-8(19(15,17)18)5-6-10(12)14/h1-7,16H,14H2,(H2,15,17,18)
InChIKeyPUCKDDCPTIKPRS-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.80
Rot. Bonds3

About 4-amino-3-(2-fluoroanilino)benzenesulfonamide

4-amino-3-(2-fluoroanilino)benzenesulfonamide (PubChem CID 82907833) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-amino-3-(2-fluoroanilino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(2-fluoroanilino)benzenesulfonamide
PubChem CID82907833
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name4-amino-3-(2-fluoroanilino)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1Nc1ccccc1F
InChIInChI=1S/C12H12FN3O2S/c13-9-3-1-2-4-11(9)16-12-7-8(19(15,17)18)5-6-10(12)14/h1-7,16H,14H2,(H2,15,17,18)
InChIKeyPUCKDDCPTIKPRS-UHFFFAOYSA-N
XLogP1.80
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.80
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-(2-iodoanilino)benzenesulfonamide
CID 82907987
4-amino-3-(5-bromo-4-fluoro-2-methylanilino)benzenesulfonamide
CID 107590941
4-amino-3-(2-ethoxyanilino)benzenesulfonamide
CID 82900046
4-amino-3-(4-iodoanilino)benzenesulfonamide
CID 82907832
4-amino-3-(2-chloro-4,6-difluoroanilino)benzenesulfonamide
CID 83073033
3-amino-4-(2,4-difluoroanilino)benzenesulfonamide
CID 43153461
4-amino-3-(2,5-dibromoanilino)benzenesulfonamide
CID 82907244
3-amino-4-(5-chloro-2-fluoroanilino)benzenesulfonamide
CID 43438429
3-amino-4-(2-cyano-3-fluoroanilino)benzenesulfonamide
CID 43580501
3-amino-4-(2-bromoanilino)benzenesulfonamide
CID 43330972
4-amino-3-(4-propan-2-ylanilino)benzenesulfonamide
CID 82900050
4-amino-3-(4-propylanilino)benzenesulfonamide
CID 82900056

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-fluoroanilino)benzenesulfonamide?
The IUPAC name of 4-amino-3-(2-fluoroanilino)benzenesulfonamide (CID 82907833) is 4-amino-3-(2-fluoroanilino)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(2-fluoroanilino)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(2-fluoroanilino)benzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1Nc1ccccc1F.
What is the InChIKey of 4-amino-3-(2-fluoroanilino)benzenesulfonamide?
The InChIKey is PUCKDDCPTIKPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c13-9-3-1-2-4-11(9)16-12-7-8(19(15,17)18)5-6-10(12)14/h1-7,16H,14H2,(H2,15,17,18).
What are the key properties of 4-amino-3-(2-fluoroanilino)benzenesulfonamide?
4-amino-3-(2-fluoroanilino)benzenesulfonamide has a molecular weight of 281.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-fluoroanilino)benzenesulfonamide is sourced from PubChem (CID 82907833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).