4-amino-N-(3-chloro-4-fluorophenyl)benzenesulfonamide

C12H10ClFN2O2S — CID 28938084

IUPAC4-amino-N-(3-chloro-4-fluorophenyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C12H10ClFN2O2S/c13-11-7-9(3-6-12(11)14)16-19(17,18)10-4-1-8(15)2-5-10/h1-7,16H,15H2
InChIKeyLXJPXGCCEBXVPZ-UHFFFAOYSA-N
MW300.74 g/mol
LogP2.86
Rot. Bonds3

About 4-amino-N-(3-chloro-4-fluorophenyl)benzenesulfonamide

4-amino-N-(3-chloro-4-fluorophenyl)benzenesulfonamide (PubChem CID 28938084) has the molecular formula C12H10ClFN2O2S and a molecular weight of 300.74 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-4-fluorophenyl)benzenesulfonamide
PubChem CID28938084
Molecular FormulaC12H10ClFN2O2S
Molecular Weight300.74 g/mol
Exact Mass300.01
IUPAC Name4-amino-N-(3-chloro-4-fluorophenyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C12H10ClFN2O2S/c13-11-7-9(3-6-12(11)14)16-19(17,18)10-4-1-8(15)2-5-10/h1-7,16H,15H2
InChIKeyLXJPXGCCEBXVPZ-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 4-amino-N-(3-chloro-4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3-chloro-4-fluorophenyl)benzenesulfonamide (CID 28938084) is 4-amino-N-(3-chloro-4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-chloro-4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-chloro-4-fluorophenyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 4-amino-N-(3-chloro-4-fluorophenyl)benzenesulfonamide?
The InChIKey is LXJPXGCCEBXVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2S/c13-11-7-9(3-6-12(11)14)16-19(17,18)10-4-1-8(15)2-5-10/h1-7,16H,15H2.
What are the key properties of 4-amino-N-(3-chloro-4-fluorophenyl)benzenesulfonamide?
4-amino-N-(3-chloro-4-fluorophenyl)benzenesulfonamide 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 4-amino-N-(3-chloro-4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 28938084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).