5-amino-3-chloro-2-fluoro-N-phenylbenzenesulfonamide

C12H10ClFN2O2S — CID 43256843

IUPAC5-amino-3-chloro-2-fluoro-N-phenylbenzenesulfonamide
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C12H10ClFN2O2S/c13-10-6-8(15)7-11(12(10)14)19(17,18)16-9-4-2-1-3-5-9/h1-7,16H,15H2
InChIKeyXBFPHLZLQKYVNP-UHFFFAOYSA-N
MW300.74 g/mol
LogP2.86
Rot. Bonds3

About 5-amino-3-chloro-2-fluoro-N-phenylbenzenesulfonamide

5-amino-3-chloro-2-fluoro-N-phenylbenzenesulfonamide (PubChem CID 43256843) has the molecular formula C12H10ClFN2O2S and a molecular weight of 300.74 g/mol. Its IUPAC name is 5-amino-3-chloro-2-fluoro-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-fluoro-N-phenylbenzenesulfonamide
PubChem CID43256843
Molecular FormulaC12H10ClFN2O2S
Molecular Weight300.74 g/mol
Exact Mass300.01
IUPAC Name5-amino-3-chloro-2-fluoro-N-phenylbenzenesulfonamide
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C12H10ClFN2O2S/c13-10-6-8(15)7-11(12(10)14)19(17,18)16-9-4-2-1-3-5-9/h1-7,16H,15H2
InChIKeyXBFPHLZLQKYVNP-UHFFFAOYSA-N
XLogP2.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-fluoro-N-phenylbenzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-2-fluoro-N-phenylbenzenesulfonamide (CID 43256843) is 5-amino-3-chloro-2-fluoro-N-phenylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-2-fluoro-N-phenylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-2-fluoro-N-phenylbenzenesulfonamide is Nc1cc(Cl)c(F)c(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of 5-amino-3-chloro-2-fluoro-N-phenylbenzenesulfonamide?
The InChIKey is XBFPHLZLQKYVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2S/c13-10-6-8(15)7-11(12(10)14)19(17,18)16-9-4-2-1-3-5-9/h1-7,16H,15H2.
What are the key properties of 5-amino-3-chloro-2-fluoro-N-phenylbenzenesulfonamide?
5-amino-3-chloro-2-fluoro-N-phenylbenzenesulfonamide has a molecular weight of 300.74 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-fluoro-N-phenylbenzenesulfonamide is sourced from PubChem (CID 43256843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).