N-(difluoromethyl)-N-propan-2-ylmethanesulfonamide

C5H11F2NO2S — CID 164821552

IUPACN-(difluoromethyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(C(F)F)S(C)(=O)=O
InChIInChI=1S/C5H11F2NO2S/c1-4(2)8(5(6)7)11(3,9)10/h4-5H,1-3H3
InChIKeyPNBUWWRGNBFSPA-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.88
Rot. Bonds3

About N-(difluoromethyl)-N-propan-2-ylmethanesulfonamide

N-(difluoromethyl)-N-propan-2-ylmethanesulfonamide (PubChem CID 164821552) has the molecular formula C5H11F2NO2S and a molecular weight of 187.21 g/mol. Its IUPAC name is N-(difluoromethyl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(difluoromethyl)-N-propan-2-ylmethanesulfonamide
PubChem CID164821552
Molecular FormulaC5H11F2NO2S
Molecular Weight187.21 g/mol
Exact Mass187.05
IUPAC NameN-(difluoromethyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(C(F)F)S(C)(=O)=O
InChIInChI=1S/C5H11F2NO2S/c1-4(2)8(5(6)7)11(3,9)10/h4-5H,1-3H3
InChIKeyPNBUWWRGNBFSPA-UHFFFAOYSA-N
XLogP0.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-(difluoromethyl)-N-propan-2-ylmethanesulfonamide (CID 164821552) is N-(difluoromethyl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-(difluoromethyl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-(difluoromethyl)-N-propan-2-ylmethanesulfonamide is CC(C)N(C(F)F)S(C)(=O)=O.
What is the InChIKey of N-(difluoromethyl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is PNBUWWRGNBFSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO2S/c1-4(2)8(5(6)7)11(3,9)10/h4-5H,1-3H3.
What are the key properties of N-(difluoromethyl)-N-propan-2-ylmethanesulfonamide?
N-(difluoromethyl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 187.21 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 164821552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).