N-(2,2-difluoroethyl)-N-propan-2-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonamide

C11H16F5N3O2S — CID 154788948

IUPACN-(2,2-difluoroethyl)-N-propan-2-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonamide
SMILESCC(C)N(CC(F)F)S(=O)(=O)Cc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C11H16F5N3O2S/c1-8(2)19(5-10(12)13)22(20,21)6-9-3-4-18(17-9)7-11(14,15)16/h3-4,8,10H,5-7H2,1-2H3
InChIKeyQECIGIWCSXQCTB-UHFFFAOYSA-N
MW349.33 g/mol
LogP2.25
Rot. Bonds7

About N-(2,2-difluoroethyl)-N-propan-2-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonamide

N-(2,2-difluoroethyl)-N-propan-2-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonamide (PubChem CID 154788948) has the molecular formula C11H16F5N3O2S and a molecular weight of 349.33 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-propan-2-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-propan-2-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonamide
PubChem CID154788948
Molecular FormulaC11H16F5N3O2S
Molecular Weight349.33 g/mol
Exact Mass349.09
IUPAC NameN-(2,2-difluoroethyl)-N-propan-2-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonamide
SMILESCC(C)N(CC(F)F)S(=O)(=O)Cc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C11H16F5N3O2S/c1-8(2)19(5-10(12)13)22(20,21)6-9-3-4-18(17-9)7-11(14,15)16/h3-4,8,10H,5-7H2,1-2H3
InChIKeyQECIGIWCSXQCTB-UHFFFAOYSA-N
XLogP2.25
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-propan-2-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-propan-2-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonamide (CID 154788948) is N-(2,2-difluoroethyl)-N-propan-2-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-propan-2-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-propan-2-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonamide is CC(C)N(CC(F)F)S(=O)(=O)Cc1ccn(CC(F)(F)F)n1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-propan-2-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonamide?
The InChIKey is QECIGIWCSXQCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F5N3O2S/c1-8(2)19(5-10(12)13)22(20,21)6-9-3-4-18(17-9)7-11(14,15)16/h3-4,8,10H,5-7H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-propan-2-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonamide?
N-(2,2-difluoroethyl)-N-propan-2-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonamide has a molecular weight of 349.33 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-propan-2-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonamide is sourced from PubChem (CID 154788948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).