N-(cyclohexylmethyl)-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide

C10H14F7NO2S — CID 129294878

IUPACN-(cyclohexylmethyl)-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
SMILESO=S(=O)(NCC1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F7NO2S/c11-8(12,9(13,14)15)10(16,17)21(19,20)18-6-7-4-2-1-3-5-7/h7,18H,1-6H2
InChIKeyMOKWKHBBTHESNL-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.28
Rot. Bonds5

About N-(cyclohexylmethyl)-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide

N-(cyclohexylmethyl)-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide (PubChem CID 129294878) has the molecular formula C10H14F7NO2S and a molecular weight of 345.28 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
PubChem CID129294878
Molecular FormulaC10H14F7NO2S
Molecular Weight345.28 g/mol
Exact Mass345.06
IUPAC NameN-(cyclohexylmethyl)-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
SMILESO=S(=O)(NCC1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F7NO2S/c11-8(12,9(13,14)15)10(16,17)21(19,20)18-6-7-4-2-1-3-5-7/h7,18H,1-6H2
InChIKeyMOKWKHBBTHESNL-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(cyclohexylmethyl)-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide (CID 129294878) is N-(cyclohexylmethyl)-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide is O=S(=O)(NCC1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(cyclohexylmethyl)-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
The InChIKey is MOKWKHBBTHESNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F7NO2S/c11-8(12,9(13,14)15)10(16,17)21(19,20)18-6-7-4-2-1-3-5-7/h7,18H,1-6H2.
What are the key properties of N-(cyclohexylmethyl)-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
N-(cyclohexylmethyl)-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide has a molecular weight of 345.28 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide is sourced from PubChem (CID 129294878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).