1-(difluoromethyl)-N-propan-2-ylcyclopropane-1-sulfonamide

C7H13F2NO2S — CID 167378554

IUPAC1-(difluoromethyl)-N-propan-2-ylcyclopropane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)C1(C(F)F)CC1
InChIInChI=1S/C7H13F2NO2S/c1-5(2)10-13(11,12)7(3-4-7)6(8)9/h5-6,10H,3-4H2,1-2H3
InChIKeyDYPJIKZLLXYGAM-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.11
Rot. Bonds4

About 1-(difluoromethyl)-N-propan-2-ylcyclopropane-1-sulfonamide

1-(difluoromethyl)-N-propan-2-ylcyclopropane-1-sulfonamide (PubChem CID 167378554) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-propan-2-ylcyclopropane-1-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-propan-2-ylcyclopropane-1-sulfonamide
PubChem CID167378554
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC Name1-(difluoromethyl)-N-propan-2-ylcyclopropane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)C1(C(F)F)CC1
InChIInChI=1S/C7H13F2NO2S/c1-5(2)10-13(11,12)7(3-4-7)6(8)9/h5-6,10H,3-4H2,1-2H3
InChIKeyDYPJIKZLLXYGAM-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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Related Compounds

N-cyclopropyl-2-methylpropane-2-sulfonamide
CID 57911016
N-cyclopropyl-1-methylcyclopropane-1-sulfonamide
CID 126970984
1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide
CID 101913204
1,1,1-trifluoro-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
CID 176436281
N-butan-2-yl-1,1,1-trifluoromethanesulfonamide
CID 14663477
Isopropyl(trifluoromethylsulfonyl)amine
CID 22908457
2,2-difluoro-N-propan-2-ylpropane-1-sulfonamide
CID 58525236
2,2,2-trifluoro-N-propan-2-ylethanesulfonamide
CID 59302447
1,1-difluoro-N-(2-methylpropyl)ethanesulfonamide
CID 87155234
N-(1,1,1-trifluoro-3-methylbutan-2-yl)ethanesulfonamide
CID 87159546
N-(1,1,1-trifluorobutan-2-yl)ethanesulfonamide
CID 87160176
N-(2,2-difluoroethyl)cyclopropanesulfonamide
CID 88593228

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-propan-2-ylcyclopropane-1-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-N-propan-2-ylcyclopropane-1-sulfonamide (CID 167378554) is 1-(difluoromethyl)-N-propan-2-ylcyclopropane-1-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-N-propan-2-ylcyclopropane-1-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-N-propan-2-ylcyclopropane-1-sulfonamide is CC(C)NS(=O)(=O)C1(C(F)F)CC1.
What is the InChIKey of 1-(difluoromethyl)-N-propan-2-ylcyclopropane-1-sulfonamide?
The InChIKey is DYPJIKZLLXYGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-5(2)10-13(11,12)7(3-4-7)6(8)9/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-N-propan-2-ylcyclopropane-1-sulfonamide?
1-(difluoromethyl)-N-propan-2-ylcyclopropane-1-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 1-(difluoromethyl)-N-propan-2-ylcyclopropane-1-sulfonamide is sourced from PubChem (CID 167378554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).