N,N,1,1,1,2,3,3,3-nonafluoropropane-2-sulfonamide

C3F9NO2S — CID 87638806

IUPACN,N,1,1,1,2,3,3,3-nonafluoropropane-2-sulfonamide
SMILESO=S(=O)(N(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3F9NO2S/c4-1(2(5,6)7,3(8,9)10)16(14,15)13(11)12
InChIKeyLVZHMCPEGWDKHR-UHFFFAOYSA-N
MW285.09 g/mol
LogP2.18
Rot. Bonds2

About N,N,1,1,1,2,3,3,3-nonafluoropropane-2-sulfonamide

N,N,1,1,1,2,3,3,3-nonafluoropropane-2-sulfonamide (PubChem CID 87638806) has the molecular formula C3F9NO2S and a molecular weight of 285.09 g/mol. Its IUPAC name is N,N,1,1,1,2,3,3,3-nonafluoropropane-2-sulfonamide.

Molecular Properties

Compound NameN,N,1,1,1,2,3,3,3-nonafluoropropane-2-sulfonamide
PubChem CID87638806
Molecular FormulaC3F9NO2S
Molecular Weight285.09 g/mol
Exact Mass284.95
IUPAC NameN,N,1,1,1,2,3,3,3-nonafluoropropane-2-sulfonamide
SMILESO=S(=O)(N(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3F9NO2S/c4-1(2(5,6)7,3(8,9)10)16(14,15)13(11)12
InChIKeyLVZHMCPEGWDKHR-UHFFFAOYSA-N
XLogP2.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Perfluorobutane sulfonamide
CID 10958205
Pentafluoroethanesulfonamide
CID 11252905
Heptafluoropropane-1-sulfonamide
CID 21692167
1,1,1,2,3,3,3-Heptafluoropropane-2-sulfonamide
CID 12522024
Perfluoro-butyl sulfonyl propylamine
CID 171396698
N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide
CID 22033855
Perfluoropropane sulfonate
CID 22590823
N,N,1,1,2,2,3,3,4,4,4-undecafluorobutane-1-sulfonamide
CID 53849119
N,1,1,3,3,3-hexafluoropropane-1-sulfonamide
CID 87542493
N,N,1,1,2,2,2-heptafluoroethanesulfonamide
CID 87765728
N,1,1,2,2,2-hexafluoroethanesulfonamide
CID 87788327
N,1,1,2,2,3,3-heptafluoropropane-1-sulfonamide
CID 90745791

Frequently Asked Questions

What is the IUPAC name of N,N,1,1,1,2,3,3,3-nonafluoropropane-2-sulfonamide?
The IUPAC name of N,N,1,1,1,2,3,3,3-nonafluoropropane-2-sulfonamide (CID 87638806) is N,N,1,1,1,2,3,3,3-nonafluoropropane-2-sulfonamide.
What is the SMILES notation for N,N,1,1,1,2,3,3,3-nonafluoropropane-2-sulfonamide?
The canonical SMILES for N,N,1,1,1,2,3,3,3-nonafluoropropane-2-sulfonamide is O=S(=O)(N(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N,N,1,1,1,2,3,3,3-nonafluoropropane-2-sulfonamide?
The InChIKey is LVZHMCPEGWDKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F9NO2S/c4-1(2(5,6)7,3(8,9)10)16(14,15)13(11)12.
What are the key properties of N,N,1,1,1,2,3,3,3-nonafluoropropane-2-sulfonamide?
N,N,1,1,1,2,3,3,3-nonafluoropropane-2-sulfonamide has a molecular weight of 285.09 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,1,1,2,3,3,3-nonafluoropropane-2-sulfonamide is sourced from PubChem (CID 87638806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).