N-(3-amino-2,2-difluoropropyl)-5-methyl-1H-pyrazole-4-sulfonamide

C7H12F2N4O2S — CID 114384024

IUPACN-(3-amino-2,2-difluoropropyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC(F)(F)CN
InChIInChI=1S/C7H12F2N4O2S/c1-5-6(2-11-13-5)16(14,15)12-4-7(8,9)3-10/h2,12H,3-4,10H2,1H3,(H,11,13)
InChIKeyCMCLYDLUDRNANW-UHFFFAOYSA-N
MW254.26 g/mol
LogP-0.41
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(3-amino-2,2-difluoropropyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 114384024) has the molecular formula C7H12F2N4O2S and a molecular weight of 254.26 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID114384024
Molecular FormulaC7H12F2N4O2S
Molecular Weight254.26 g/mol
Exact Mass254.06
IUPAC NameN-(3-amino-2,2-difluoropropyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC(F)(F)CN
InChIInChI=1S/C7H12F2N4O2S/c1-5-6(2-11-13-5)16(14,15)12-4-7(8,9)3-10/h2,12H,3-4,10H2,1H3,(H,11,13)
InChIKeyCMCLYDLUDRNANW-UHFFFAOYSA-N
XLogP-0.41
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-2,2-difluoropropyl)-5-methyl-1H-pyrazole-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-(3-amino-2,2-difluoropropyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 114384024) is N-(3-amino-2,2-difluoropropyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NCC(F)(F)CN.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is CMCLYDLUDRNANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N4O2S/c1-5-6(2-11-13-5)16(14,15)12-4-7(8,9)3-10/h2,12H,3-4,10H2,1H3,(H,11,13).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(3-amino-2,2-difluoropropyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 254.26 g/mol, XLogP of -0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 114384024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).