N-(1-amino-2-methylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide

C9H16F2N4O2S — CID 120709265

IUPACN-(1-amino-2-methylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
SMILESCC(C)(CN)NS(=O)(=O)c1cnn(CC(F)F)c1
InChIInChI=1S/C9H16F2N4O2S/c1-9(2,6-12)14-18(16,17)7-3-13-15(4-7)5-8(10)11/h3-4,8,14H,5-6,12H2,1-2H3
InChIKeyJVTVVZKJKLRMGR-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.16
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide

N-(1-amino-2-methylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide (PubChem CID 120709265) has the molecular formula C9H16F2N4O2S and a molecular weight of 282.32 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
PubChem CID120709265
Molecular FormulaC9H16F2N4O2S
Molecular Weight282.32 g/mol
Exact Mass282.10
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
SMILESCC(C)(CN)NS(=O)(=O)c1cnn(CC(F)F)c1
InChIInChI=1S/C9H16F2N4O2S/c1-9(2,6-12)14-18(16,17)7-3-13-15(4-7)5-8(10)11/h3-4,8,14H,5-6,12H2,1-2H3
InChIKeyJVTVVZKJKLRMGR-UHFFFAOYSA-N
XLogP0.16
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-1-(2,2-difluoroethyl)-N-methylpyrazole-4-sulfonamide
CID 120712272
N-[2-(aminomethyl)cyclopentyl]-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120711102
1-(2,2-difluoroethyl)-N-(4-ethyl-1,3-thiazol-5-yl)pyrazole-4-sulfonamide
CID 91652668
N-(1-amino-2-methylpropan-2-yl)-3,4,5-trifluorobenzenesulfonamide
CID 91659844
1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 115409125
1-(2,2-difluoroethyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide
CID 99823671
1-(2,2-difluoroethyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride
CID 120707652
N-(1-methoxy-2-methylpropan-2-yl)-1-[2-(propan-2-ylamino)ethyl]pyrazole-4-sulfonamide
CID 106080694
1-(2,2-difluoroethyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide
CID 120709011
N-(1-amino-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide
CID 63194324
N-(2-methylbutan-2-yl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106031589
3,3-dimethyl-2-[(4-methylsulfonylpyrazol-1-yl)methyl]butan-1-amine
CID 165478114

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide (CID 120709265) is N-(1-amino-2-methylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide is CC(C)(CN)NS(=O)(=O)c1cnn(CC(F)F)c1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is JVTVVZKJKLRMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N4O2S/c1-9(2,6-12)14-18(16,17)7-3-13-15(4-7)5-8(10)11/h3-4,8,14H,5-6,12H2,1-2H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide?
N-(1-amino-2-methylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 282.32 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 120709265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).