2-amino-4-chloro-N-(2,4-difluorophenyl)benzenesulfonamide

C12H9ClF2N2O2S — CID 29045303

IUPAC2-amino-4-chloro-N-(2,4-difluorophenyl)benzenesulfonamide
SMILESNc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H9ClF2N2O2S/c13-7-1-4-12(10(16)5-7)20(18,19)17-11-3-2-8(14)6-9(11)15/h1-6,17H,16H2
InChIKeyZXVUJVZZIDPGCP-UHFFFAOYSA-N
MW318.73 g/mol
LogP3.00
Rot. Bonds3

About 2-amino-4-chloro-N-(2,4-difluorophenyl)benzenesulfonamide

2-amino-4-chloro-N-(2,4-difluorophenyl)benzenesulfonamide (PubChem CID 29045303) has the molecular formula C12H9ClF2N2O2S and a molecular weight of 318.73 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(2,4-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(2,4-difluorophenyl)benzenesulfonamide
PubChem CID29045303
Molecular FormulaC12H9ClF2N2O2S
Molecular Weight318.73 g/mol
Exact Mass318.00
IUPAC Name2-amino-4-chloro-N-(2,4-difluorophenyl)benzenesulfonamide
SMILESNc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H9ClF2N2O2S/c13-7-1-4-12(10(16)5-7)20(18,19)17-11-3-2-8(14)6-9(11)15/h1-6,17H,16H2
InChIKeyZXVUJVZZIDPGCP-UHFFFAOYSA-N
XLogP3.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.73
LogP ≤ 53.00
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 2-amino-4-chloro-N-(2,4-difluorophenyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-(2,4-difluorophenyl)benzenesulfonamide (CID 29045303) is 2-amino-4-chloro-N-(2,4-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-(2,4-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-(2,4-difluorophenyl)benzenesulfonamide is Nc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-amino-4-chloro-N-(2,4-difluorophenyl)benzenesulfonamide?
The InChIKey is ZXVUJVZZIDPGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O2S/c13-7-1-4-12(10(16)5-7)20(18,19)17-11-3-2-8(14)6-9(11)15/h1-6,17H,16H2.
What are the key properties of 2-amino-4-chloro-N-(2,4-difluorophenyl)benzenesulfonamide?
2-amino-4-chloro-N-(2,4-difluorophenyl)benzenesulfonamide has a molecular weight of 318.73 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(2,4-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 29045303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).