N-cycloheptyl-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide

C13H21F2N3O2S — CID 19582879

IUPACN-cycloheptyl-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C13H21F2N3O2S/c1-9-12(10(2)18(16-9)13(14)15)21(19,20)17-11-7-5-3-4-6-8-11/h11,13,17H,3-8H2,1-2H3
InChIKeyIMCJVWBENAMVAL-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.90
Rot. Bonds4

About N-cycloheptyl-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide

N-cycloheptyl-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 19582879) has the molecular formula C13H21F2N3O2S and a molecular weight of 321.39 g/mol. Its IUPAC name is N-cycloheptyl-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID19582879
Molecular FormulaC13H21F2N3O2S
Molecular Weight321.39 g/mol
Exact Mass321.13
IUPAC NameN-cycloheptyl-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C13H21F2N3O2S/c1-9-12(10(2)18(16-9)13(14)15)21(19,20)17-11-7-5-3-4-6-8-11/h11,13,17H,3-8H2,1-2H3
InChIKeyIMCJVWBENAMVAL-UHFFFAOYSA-N
XLogP2.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cycloheptyl-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-cycloheptyl-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide (CID 19582879) is N-cycloheptyl-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-cycloheptyl-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-cycloheptyl-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide is Cc1nn(C(F)F)c(C)c1S(=O)(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is IMCJVWBENAMVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3O2S/c1-9-12(10(2)18(16-9)13(14)15)21(19,20)17-11-7-5-3-4-6-8-11/h11,13,17H,3-8H2,1-2H3.
What are the key properties of N-cycloheptyl-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide?
N-cycloheptyl-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 321.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 19582879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).