N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-4-sulfonamide

C7H12F2N4O2S — CID 107493862

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESNCCN(CC(F)F)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C7H12F2N4O2S/c8-7(9)5-13(2-1-10)16(14,15)6-3-11-12-4-6/h3-4,7H,1-2,5,10H2,(H,11,12)
InChIKeyUSOPODYCEKBGJD-UHFFFAOYSA-N
MW254.26 g/mol
LogP-0.38
Rot. Bonds6

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-4-sulfonamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 107493862) has the molecular formula C7H12F2N4O2S and a molecular weight of 254.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID107493862
Molecular FormulaC7H12F2N4O2S
Molecular Weight254.26 g/mol
Exact Mass254.06
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESNCCN(CC(F)F)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C7H12F2N4O2S/c8-7(9)5-13(2-1-10)16(14,15)6-3-11-12-4-6/h3-4,7H,1-2,5,10H2,(H,11,12)
InChIKeyUSOPODYCEKBGJD-UHFFFAOYSA-N
XLogP-0.38
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1H-pyrazole-4-sulfonamide
CID 54594730
1H-pyrazole-4-sulfonamide
CID 45080579
1H-pyrazole-4-sulfonohydrazide
CID 60917034
4-difluoromethanesulfonyl-1H-pyrazole
CID 165997243
1-(1H-pyrazol-4-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 47267551
N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
CID 91046527
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47268117
2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47268119
N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47268215
N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47268216
N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47388120
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 54876999

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-4-sulfonamide (CID 107493862) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-4-sulfonamide is NCCN(CC(F)F)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is USOPODYCEKBGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N4O2S/c8-7(9)5-13(2-1-10)16(14,15)6-3-11-12-4-6/h3-4,7H,1-2,5,10H2,(H,11,12).
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-4-sulfonamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 254.26 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 107493862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).