N-(difluoromethyl)-N-propan-2-ylcyclopropanesulfonamide

C7H13F2NO2S — CID 164821569

IUPACN-(difluoromethyl)-N-propan-2-ylcyclopropanesulfonamide
SMILESCC(C)N(C(F)F)S(=O)(=O)C1CC1
InChIInChI=1S/C7H13F2NO2S/c1-5(2)10(7(8)9)13(11,12)6-3-4-6/h5-7H,3-4H2,1-2H3
InChIKeyZLKLXUHSFGYAAE-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.41
Rot. Bonds4

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

N-(difluoromethyl)-N-propan-2-ylcyclopropanesulfonamide (PubChem CID 164821569) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is N-(difluoromethyl)-N-propan-2-ylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-(difluoromethyl)-N-propan-2-ylcyclopropanesulfonamide
PubChem CID164821569
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC NameN-(difluoromethyl)-N-propan-2-ylcyclopropanesulfonamide
SMILESCC(C)N(C(F)F)S(=O)(=O)C1CC1
InChIInChI=1S/C7H13F2NO2S/c1-5(2)10(7(8)9)13(11,12)6-3-4-6/h5-7H,3-4H2,1-2H3
InChIKeyZLKLXUHSFGYAAE-UHFFFAOYSA-N
XLogP1.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.41
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-ylcyclopropanesulfonamide?
The IUPAC name of N-(difluoromethyl)-N-propan-2-ylcyclopropanesulfonamide (CID 164821569) is N-(difluoromethyl)-N-propan-2-ylcyclopropanesulfonamide.
What is the SMILES notation for N-(difluoromethyl)-N-propan-2-ylcyclopropanesulfonamide?
The canonical SMILES for N-(difluoromethyl)-N-propan-2-ylcyclopropanesulfonamide is CC(C)N(C(F)F)S(=O)(=O)C1CC1.
What is the InChIKey of N-(difluoromethyl)-N-propan-2-ylcyclopropanesulfonamide?
The InChIKey is ZLKLXUHSFGYAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-5(2)10(7(8)9)13(11,12)6-3-4-6/h5-7H,3-4H2,1-2H3.
What are the key properties of N-(difluoromethyl)-N-propan-2-ylcyclopropanesulfonamide?
N-(difluoromethyl)-N-propan-2-ylcyclopropanesulfonamide has a molecular weight of 213.25 g/mol, XLogP of 1.41, 4 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-ylcyclopropanesulfonamide is sourced from PubChem (CID 164821569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).