N-tert-butyl-1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide

C9H14F3N3O2S — CID 146571303

IUPACN-tert-butyl-1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1nn(C(C)(F)F)cc1F
InChIInChI=1S/C9H14F3N3O2S/c1-8(2,3)14-18(16,17)7-6(10)5-15(13-7)9(4,11)12/h5,14H,1-4H3
InChIKeyACSUUSOAKTVIQN-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.67
Rot. Bonds3

About N-tert-butyl-1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide

N-tert-butyl-1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide (PubChem CID 146571303) has the molecular formula C9H14F3N3O2S and a molecular weight of 285.29 g/mol. Its IUPAC name is N-tert-butyl-1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide
PubChem CID146571303
Molecular FormulaC9H14F3N3O2S
Molecular Weight285.29 g/mol
Exact Mass285.08
IUPAC NameN-tert-butyl-1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1nn(C(C)(F)F)cc1F
InChIInChI=1S/C9H14F3N3O2S/c1-8(2,3)14-18(16,17)7-6(10)5-15(13-7)9(4,11)12/h5,14H,1-4H3
InChIKeyACSUUSOAKTVIQN-UHFFFAOYSA-N
XLogP1.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethyl-4-fluoro-pyrazole-3-sulfonamide
CID 146570516
1-Ethyl-4-fluoro-pyrazole-3-sulfonamide
CID 146570546
N-tert-butyl-4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide
CID 146570568
N-tert-butyl-4-fluoro-1-(2-hydroxypropyl)pyrazole-3-sulfonamide
CID 146570571
1-(Difluoromethyl)-4-fluoropyrazole-3-sulfonamide
CID 146570733
1-(2-bromo-1,1-difluoroethyl)-N-tert-butyl-4-fluoropyrazole-3-sulfonamide
CID 146571305
1-[(E)-2-bromo-1-fluoroethenyl]-N-tert-butyl-4-fluoropyrazole-3-sulfonamide
CID 146571416
1-(2-bromo-1-fluoroethenyl)-N-tert-butyl-4-fluoropyrazole-3-sulfonamide
CID 146571418
N-tert-butyl-1-cyclopropyl-4-fluoropyrazole-3-sulfonamide
CID 146571424
1-(1,1-Difluoroethyl)-4-fluoropyrazole-3-sulfonamide
CID 146571427
1-(1,1-Difluoroethyl)pyrazole-3-sulfonamide
CID 146571437
1-Ethyl-4-fluoropyrazole-5-sulfinamide
CID 146571466

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide?
The IUPAC name of N-tert-butyl-1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide (CID 146571303) is N-tert-butyl-1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide.
What is the SMILES notation for N-tert-butyl-1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide?
The canonical SMILES for N-tert-butyl-1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide is CC(C)(C)NS(=O)(=O)c1nn(C(C)(F)F)cc1F.
What is the InChIKey of N-tert-butyl-1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide?
The InChIKey is ACSUUSOAKTVIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2S/c1-8(2,3)14-18(16,17)7-6(10)5-15(13-7)9(4,11)12/h5,14H,1-4H3.
What are the key properties of N-tert-butyl-1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide?
N-tert-butyl-1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide has a molecular weight of 285.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide is sourced from PubChem (CID 146571303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).