N,1,1,3,3,3-hexafluoropropane-1-sulfonamide

C3H3F6NO2S — CID 87542493

IUPACN,1,1,3,3,3-hexafluoropropane-1-sulfonamide
SMILESO=S(=O)(NF)C(F)(F)CC(F)(F)F
InChIInChI=1S/C3H3F6NO2S/c4-2(5,6)1-3(7,8)13(11,12)10-9/h10H,1H2
InChIKeyBMJUJZDUZAIRGD-UHFFFAOYSA-N
MW231.12 g/mol
LogP1.34
Rot. Bonds3

About N,1,1,3,3,3-hexafluoropropane-1-sulfonamide

N,1,1,3,3,3-hexafluoropropane-1-sulfonamide (PubChem CID 87542493) has the molecular formula C3H3F6NO2S and a molecular weight of 231.12 g/mol. Its IUPAC name is N,1,1,3,3,3-hexafluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN,1,1,3,3,3-hexafluoropropane-1-sulfonamide
PubChem CID87542493
Molecular FormulaC3H3F6NO2S
Molecular Weight231.12 g/mol
Exact Mass230.98
IUPAC NameN,1,1,3,3,3-hexafluoropropane-1-sulfonamide
SMILESO=S(=O)(NF)C(F)(F)CC(F)(F)F
InChIInChI=1S/C3H3F6NO2S/c4-2(5,6)1-3(7,8)13(11,12)10-9/h10H,1H2
InChIKeyBMJUJZDUZAIRGD-UHFFFAOYSA-N
XLogP1.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,1,1,3,3,3-hexafluoropropane-1-sulfonamide?
The IUPAC name of N,1,1,3,3,3-hexafluoropropane-1-sulfonamide (CID 87542493) is N,1,1,3,3,3-hexafluoropropane-1-sulfonamide.
What is the SMILES notation for N,1,1,3,3,3-hexafluoropropane-1-sulfonamide?
The canonical SMILES for N,1,1,3,3,3-hexafluoropropane-1-sulfonamide is O=S(=O)(NF)C(F)(F)CC(F)(F)F.
What is the InChIKey of N,1,1,3,3,3-hexafluoropropane-1-sulfonamide?
The InChIKey is BMJUJZDUZAIRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F6NO2S/c4-2(5,6)1-3(7,8)13(11,12)10-9/h10H,1H2.
What are the key properties of N,1,1,3,3,3-hexafluoropropane-1-sulfonamide?
N,1,1,3,3,3-hexafluoropropane-1-sulfonamide has a molecular weight of 231.12 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,1,3,3,3-hexafluoropropane-1-sulfonamide is sourced from PubChem (CID 87542493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).