N-(3-amino-2,2-dimethylpropyl)-1-(2,2-difluoroethyl)-N-methylpyrazole-4-sulfonamide

C11H20F2N4O2S — CID 120712272

IUPACN-(3-amino-2,2-dimethylpropyl)-1-(2,2-difluoroethyl)-N-methylpyrazole-4-sulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1cnn(CC(F)F)c1
InChIInChI=1S/C11H20F2N4O2S/c1-11(2,7-14)8-16(3)20(18,19)9-4-15-17(5-9)6-10(12)13/h4-5,10H,6-8,14H2,1-3H3
InChIKeyBXDMXNNVHHBTAI-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.75
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-1-(2,2-difluoroethyl)-N-methylpyrazole-4-sulfonamide

N-(3-amino-2,2-dimethylpropyl)-1-(2,2-difluoroethyl)-N-methylpyrazole-4-sulfonamide (PubChem CID 120712272) has the molecular formula C11H20F2N4O2S and a molecular weight of 310.37 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-1-(2,2-difluoroethyl)-N-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-1-(2,2-difluoroethyl)-N-methylpyrazole-4-sulfonamide
PubChem CID120712272
Molecular FormulaC11H20F2N4O2S
Molecular Weight310.37 g/mol
Exact Mass310.13
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-1-(2,2-difluoroethyl)-N-methylpyrazole-4-sulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1cnn(CC(F)F)c1
InChIInChI=1S/C11H20F2N4O2S/c1-11(2,7-14)8-16(3)20(18,19)9-4-15-17(5-9)6-10(12)13/h4-5,10H,6-8,14H2,1-3H3
InChIKeyBXDMXNNVHHBTAI-UHFFFAOYSA-N
XLogP0.75
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-(2,2-difluoroethyl)-N-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-(2,2-difluoroethyl)-N-methylpyrazole-4-sulfonamide (CID 120712272) is N-(3-amino-2,2-dimethylpropyl)-1-(2,2-difluoroethyl)-N-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-1-(2,2-difluoroethyl)-N-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-1-(2,2-difluoroethyl)-N-methylpyrazole-4-sulfonamide is CN(CC(C)(C)CN)S(=O)(=O)c1cnn(CC(F)F)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-1-(2,2-difluoroethyl)-N-methylpyrazole-4-sulfonamide?
The InChIKey is BXDMXNNVHHBTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N4O2S/c1-11(2,7-14)8-16(3)20(18,19)9-4-15-17(5-9)6-10(12)13/h4-5,10H,6-8,14H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-1-(2,2-difluoroethyl)-N-methylpyrazole-4-sulfonamide?
N-(3-amino-2,2-dimethylpropyl)-1-(2,2-difluoroethyl)-N-methylpyrazole-4-sulfonamide has a molecular weight of 310.37 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-1-(2,2-difluoroethyl)-N-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 120712272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).