2-amino-4,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide

C9H9Cl2F3N2O2S — CID 55173779

IUPAC2-amino-4,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C9H9Cl2F3N2O2S/c10-5-3-6(11)8(7(15)4-5)19(17,18)16-2-1-9(12,13)14/h3-4,16H,1-2,15H2
InChIKeyPIUXCOKGEDNFCO-UHFFFAOYSA-N
MW337.15 g/mol
LogP2.81
Rot. Bonds4

About 2-amino-4,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide

2-amino-4,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide (PubChem CID 55173779) has the molecular formula C9H9Cl2F3N2O2S and a molecular weight of 337.15 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide
PubChem CID55173779
Molecular FormulaC9H9Cl2F3N2O2S
Molecular Weight337.15 g/mol
Exact Mass335.97
IUPAC Name2-amino-4,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C9H9Cl2F3N2O2S/c10-5-3-6(11)8(7(15)4-5)19(17,18)16-2-1-9(12,13)14/h3-4,16H,1-2,15H2
InChIKeyPIUXCOKGEDNFCO-UHFFFAOYSA-N
XLogP2.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.15
LogP ≤ 52.81
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-4,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide (CID 55173779) is 2-amino-4,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide is Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC(F)(F)F.
What is the InChIKey of 2-amino-4,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The InChIKey is PIUXCOKGEDNFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2F3N2O2S/c10-5-3-6(11)8(7(15)4-5)19(17,18)16-2-1-9(12,13)14/h3-4,16H,1-2,15H2.
What are the key properties of 2-amino-4,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
2-amino-4,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide has a molecular weight of 337.15 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide is sourced from PubChem (CID 55173779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).