6-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyridine-3-sulfonamide

C11H11ClF2N4O2S — CID 37302683

IUPAC6-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1nccn1C(F)F)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H11ClF2N4O2S/c1-17(7-10-15-4-5-18(10)11(13)14)21(19,20)8-2-3-9(12)16-6-8/h2-6,11H,7H2,1H3
InChIKeyOBVSIKGDOCJMIR-UHFFFAOYSA-N
MW336.75 g/mol
LogP2.15
Rot. Bonds5

About 6-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyridine-3-sulfonamide

6-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyridine-3-sulfonamide (PubChem CID 37302683) has the molecular formula C11H11ClF2N4O2S and a molecular weight of 336.75 g/mol. Its IUPAC name is 6-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyridine-3-sulfonamide
PubChem CID37302683
Molecular FormulaC11H11ClF2N4O2S
Molecular Weight336.75 g/mol
Exact Mass336.03
IUPAC Name6-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1nccn1C(F)F)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H11ClF2N4O2S/c1-17(7-10-15-4-5-18(10)11(13)14)21(19,20)8-2-3-9(12)16-6-8/h2-6,11H,7H2,1H3
InChIKeyOBVSIKGDOCJMIR-UHFFFAOYSA-N
XLogP2.15
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyridine-3-sulfonamide (CID 37302683) is 6-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyridine-3-sulfonamide is CN(Cc1nccn1C(F)F)S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyridine-3-sulfonamide?
The InChIKey is OBVSIKGDOCJMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N4O2S/c1-17(7-10-15-4-5-18(10)11(13)14)21(19,20)8-2-3-9(12)16-6-8/h2-6,11H,7H2,1H3.
What are the key properties of 6-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyridine-3-sulfonamide?
6-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyridine-3-sulfonamide has a molecular weight of 336.75 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 37302683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).