N-(3,3-difluoro-2-pyrazol-1-ylpropyl)-1H-imidazole-5-sulfonamide

C9H11F2N5O2S — CID 167826184

IUPACN-(3,3-difluoro-2-pyrazol-1-ylpropyl)-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(NCC(C(F)F)n1cccn1)c1cnc[nH]1
InChIInChI=1S/C9H11F2N5O2S/c10-9(11)7(16-3-1-2-14-16)4-15-19(17,18)8-5-12-6-13-8/h1-3,5-7,9,15H,4H2,(H,12,13)
InChIKeySYSJWAAFRNVGDL-UHFFFAOYSA-N
MW291.28 g/mol
LogP0.39
Rot. Bonds6

About N-(3,3-difluoro-2-pyrazol-1-ylpropyl)-1H-imidazole-5-sulfonamide

N-(3,3-difluoro-2-pyrazol-1-ylpropyl)-1H-imidazole-5-sulfonamide (PubChem CID 167826184) has the molecular formula C9H11F2N5O2S and a molecular weight of 291.28 g/mol. Its IUPAC name is N-(3,3-difluoro-2-pyrazol-1-ylpropyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-pyrazol-1-ylpropyl)-1H-imidazole-5-sulfonamide
PubChem CID167826184
Molecular FormulaC9H11F2N5O2S
Molecular Weight291.28 g/mol
Exact Mass291.06
IUPAC NameN-(3,3-difluoro-2-pyrazol-1-ylpropyl)-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(NCC(C(F)F)n1cccn1)c1cnc[nH]1
InChIInChI=1S/C9H11F2N5O2S/c10-9(11)7(16-3-1-2-14-16)4-15-19(17,18)8-5-12-6-13-8/h1-3,5-7,9,15H,4H2,(H,12,13)
InChIKeySYSJWAAFRNVGDL-UHFFFAOYSA-N
XLogP0.39
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-pyrazol-1-ylpropyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(3,3-difluoro-2-pyrazol-1-ylpropyl)-1H-imidazole-5-sulfonamide (CID 167826184) is N-(3,3-difluoro-2-pyrazol-1-ylpropyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(3,3-difluoro-2-pyrazol-1-ylpropyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(3,3-difluoro-2-pyrazol-1-ylpropyl)-1H-imidazole-5-sulfonamide is O=S(=O)(NCC(C(F)F)n1cccn1)c1cnc[nH]1.
What is the InChIKey of N-(3,3-difluoro-2-pyrazol-1-ylpropyl)-1H-imidazole-5-sulfonamide?
The InChIKey is SYSJWAAFRNVGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N5O2S/c10-9(11)7(16-3-1-2-14-16)4-15-19(17,18)8-5-12-6-13-8/h1-3,5-7,9,15H,4H2,(H,12,13).
What are the key properties of N-(3,3-difluoro-2-pyrazol-1-ylpropyl)-1H-imidazole-5-sulfonamide?
N-(3,3-difluoro-2-pyrazol-1-ylpropyl)-1H-imidazole-5-sulfonamide has a molecular weight of 291.28 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-pyrazol-1-ylpropyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 167826184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).