2,5-difluoro-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide

C17H14F3N3O2S — CID 47958757

IUPAC2,5-difluoro-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1nccn1-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1F
InChIInChI=1S/C17H14F3N3O2S/c1-11-21-6-7-23(11)16-5-2-12(8-15(16)20)10-22-26(24,25)17-9-13(18)3-4-14(17)19/h2-9,22H,10H2,1H3
InChIKeyRJTJGOMFMVCSBH-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.08
Rot. Bonds5

About 2,5-difluoro-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide

2,5-difluoro-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 47958757) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is 2,5-difluoro-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
PubChem CID47958757
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC Name2,5-difluoro-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1nccn1-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1F
InChIInChI=1S/C17H14F3N3O2S/c1-11-21-6-7-23(11)16-5-2-12(8-15(16)20)10-22-26(24,25)17-9-13(18)3-4-14(17)19/h2-9,22H,10H2,1H3
InChIKeyRJTJGOMFMVCSBH-UHFFFAOYSA-N
XLogP3.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide (CID 47958757) is 2,5-difluoro-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide is Cc1nccn1-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1F.
What is the InChIKey of 2,5-difluoro-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is RJTJGOMFMVCSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-11-21-6-7-23(11)16-5-2-12(8-15(16)20)10-22-26(24,25)17-9-13(18)3-4-14(17)19/h2-9,22H,10H2,1H3.
What are the key properties of 2,5-difluoro-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
2,5-difluoro-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 381.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 47958757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).