N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide

C11H13F2N5O2S — CID 167801592

IUPACN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
SMILESCn1cc(NS(=O)(=O)c2cnc3n2CCC3)c(C(F)F)n1
InChIInChI=1S/C11H13F2N5O2S/c1-17-6-7(10(15-17)11(12)13)16-21(19,20)9-5-14-8-3-2-4-18(8)9/h5-6,11,16H,2-4H2,1H3
InChIKeyADGSUZVTMIEUEH-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.30
Rot. Bonds4

About N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide

N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide (PubChem CID 167801592) has the molecular formula C11H13F2N5O2S and a molecular weight of 317.32 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
PubChem CID167801592
Molecular FormulaC11H13F2N5O2S
Molecular Weight317.32 g/mol
Exact Mass317.08
IUPAC NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
SMILESCn1cc(NS(=O)(=O)c2cnc3n2CCC3)c(C(F)F)n1
InChIInChI=1S/C11H13F2N5O2S/c1-17-6-7(10(15-17)11(12)13)16-21(19,20)9-5-14-8-3-2-4-18(8)9/h5-6,11,16H,2-4H2,1H3
InChIKeyADGSUZVTMIEUEH-UHFFFAOYSA-N
XLogP1.30
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
The IUPAC name of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide (CID 167801592) is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide is Cn1cc(NS(=O)(=O)c2cnc3n2CCC3)c(C(F)F)n1.
What is the InChIKey of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
The InChIKey is ADGSUZVTMIEUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5O2S/c1-17-6-7(10(15-17)11(12)13)16-21(19,20)9-5-14-8-3-2-4-18(8)9/h5-6,11,16H,2-4H2,1H3.
What are the key properties of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide has a molecular weight of 317.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide is sourced from PubChem (CID 167801592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).