4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)benzenesulfonamide

C10H7F9N2O4S2 — CID 10742338

IUPAC4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C10H7F9N2O4S2/c11-7(12,9(15,16)17)8(13,14)10(18,19)27(24,25)21-5-1-3-6(4-2-5)26(20,22)23/h1-4,21H,(H2,20,22,23)
InChIKeyOSOCFNMAGVWVCX-UHFFFAOYSA-N
MW454.29 g/mol
LogP2.50
Rot. Bonds6

About 4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)benzenesulfonamide

4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)benzenesulfonamide (PubChem CID 10742338) has the molecular formula C10H7F9N2O4S2 and a molecular weight of 454.29 g/mol. Its IUPAC name is 4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)benzenesulfonamide
PubChem CID10742338
Molecular FormulaC10H7F9N2O4S2
Molecular Weight454.29 g/mol
Exact Mass453.97
IUPAC Name4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C10H7F9N2O4S2/c11-7(12,9(15,16)17)8(13,14)10(18,19)27(24,25)21-5-1-3-6(4-2-5)26(20,22)23/h1-4,21H,(H2,20,22,23)
InChIKeyOSOCFNMAGVWVCX-UHFFFAOYSA-N
XLogP2.50
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.29
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)benzenesulfonamide?
The IUPAC name of 4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)benzenesulfonamide (CID 10742338) is 4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for 4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)benzenesulfonamide?
The canonical SMILES for 4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)benzenesulfonamide?
The InChIKey is OSOCFNMAGVWVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F9N2O4S2/c11-7(12,9(15,16)17)8(13,14)10(18,19)27(24,25)21-5-1-3-6(4-2-5)26(20,22)23/h1-4,21H,(H2,20,22,23).
What are the key properties of 4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)benzenesulfonamide?
4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)benzenesulfonamide has a molecular weight of 454.29 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 10742338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).