N-[1-(difluoromethyl)cyclopropyl]propane-2-sulfonamide

C7H13F2NO2S — CID 168726652

IUPACN-[1-(difluoromethyl)cyclopropyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1(C(F)F)CC1
InChIInChI=1S/C7H13F2NO2S/c1-5(2)13(11,12)10-7(3-4-7)6(8)9/h5-6,10H,3-4H2,1-2H3
InChIKeyKDCHRLUEBQEAKB-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.11
Rot. Bonds4

About N-[1-(difluoromethyl)cyclopropyl]propane-2-sulfonamide

N-[1-(difluoromethyl)cyclopropyl]propane-2-sulfonamide (PubChem CID 168726652) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is N-[1-(difluoromethyl)cyclopropyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(difluoromethyl)cyclopropyl]propane-2-sulfonamide
PubChem CID168726652
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC NameN-[1-(difluoromethyl)cyclopropyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1(C(F)F)CC1
InChIInChI=1S/C7H13F2NO2S/c1-5(2)13(11,12)10-7(3-4-7)6(8)9/h5-6,10H,3-4H2,1-2H3
InChIKeyKDCHRLUEBQEAKB-UHFFFAOYSA-N
XLogP1.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)cyclopropyl]propane-2-sulfonamide?
The IUPAC name of N-[1-(difluoromethyl)cyclopropyl]propane-2-sulfonamide (CID 168726652) is N-[1-(difluoromethyl)cyclopropyl]propane-2-sulfonamide.
What is the SMILES notation for N-[1-(difluoromethyl)cyclopropyl]propane-2-sulfonamide?
The canonical SMILES for N-[1-(difluoromethyl)cyclopropyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1(C(F)F)CC1.
What is the InChIKey of N-[1-(difluoromethyl)cyclopropyl]propane-2-sulfonamide?
The InChIKey is KDCHRLUEBQEAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-5(2)13(11,12)10-7(3-4-7)6(8)9/h5-6,10H,3-4H2,1-2H3.
What are the key properties of N-[1-(difluoromethyl)cyclopropyl]propane-2-sulfonamide?
N-[1-(difluoromethyl)cyclopropyl]propane-2-sulfonamide has a molecular weight of 213.25 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)cyclopropyl]propane-2-sulfonamide is sourced from PubChem (CID 168726652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).