N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanesulfonamide

C10H15F2N3O2S — CID 75422592

IUPACN-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1nccn1C(F)F)C1CC1
InChIInChI=1S/C10H15F2N3O2S/c1-2-18(16,17)15(8-3-4-8)7-9-13-5-6-14(9)10(11)12/h5-6,8,10H,2-4,7H2,1H3
InChIKeyVSZCWBLXMASUMJ-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.59
Rot. Bonds6

About N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanesulfonamide

N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanesulfonamide (PubChem CID 75422592) has the molecular formula C10H15F2N3O2S and a molecular weight of 279.31 g/mol. Its IUPAC name is N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanesulfonamide
PubChem CID75422592
Molecular FormulaC10H15F2N3O2S
Molecular Weight279.31 g/mol
Exact Mass279.09
IUPAC NameN-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1nccn1C(F)F)C1CC1
InChIInChI=1S/C10H15F2N3O2S/c1-2-18(16,17)15(8-3-4-8)7-9-13-5-6-14(9)10(11)12/h5-6,8,10H,2-4,7H2,1H3
InChIKeyVSZCWBLXMASUMJ-UHFFFAOYSA-N
XLogP1.59
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanesulfonamide?
The IUPAC name of N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanesulfonamide (CID 75422592) is N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanesulfonamide is CCS(=O)(=O)N(Cc1nccn1C(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanesulfonamide?
The InChIKey is VSZCWBLXMASUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O2S/c1-2-18(16,17)15(8-3-4-8)7-9-13-5-6-14(9)10(11)12/h5-6,8,10H,2-4,7H2,1H3.
What are the key properties of N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanesulfonamide?
N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanesulfonamide has a molecular weight of 279.31 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 75422592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).