2,5-difluoro-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide

C14H11F2N5O2S — CID 121135320

IUPAC2,5-difluoro-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
SMILESCc1nccn1-c1cc(NS(=O)(=O)c2cc(F)ccc2F)ncn1
InChIInChI=1S/C14H11F2N5O2S/c1-9-17-4-5-21(9)14-7-13(18-8-19-14)20-24(22,23)12-6-10(15)2-3-11(12)16/h2-8H,1H3,(H,18,19,20)
InChIKeyWEUZUKKKRNECHS-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.05
Rot. Bonds4

About 2,5-difluoro-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide

2,5-difluoro-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide (PubChem CID 121135320) has the molecular formula C14H11F2N5O2S and a molecular weight of 351.34 g/mol. Its IUPAC name is 2,5-difluoro-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
PubChem CID121135320
Molecular FormulaC14H11F2N5O2S
Molecular Weight351.34 g/mol
Exact Mass351.06
IUPAC Name2,5-difluoro-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
SMILESCc1nccn1-c1cc(NS(=O)(=O)c2cc(F)ccc2F)ncn1
InChIInChI=1S/C14H11F2N5O2S/c1-9-17-4-5-21(9)14-7-13(18-8-19-14)20-24(22,23)12-6-10(15)2-3-11(12)16/h2-8H,1H3,(H,18,19,20)
InChIKeyWEUZUKKKRNECHS-UHFFFAOYSA-N
XLogP2.05
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide (CID 121135320) is 2,5-difluoro-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide is Cc1nccn1-c1cc(NS(=O)(=O)c2cc(F)ccc2F)ncn1.
What is the InChIKey of 2,5-difluoro-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide?
The InChIKey is WEUZUKKKRNECHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5O2S/c1-9-17-4-5-21(9)14-7-13(18-8-19-14)20-24(22,23)12-6-10(15)2-3-11(12)16/h2-8H,1H3,(H,18,19,20).
What are the key properties of 2,5-difluoro-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide?
2,5-difluoro-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide has a molecular weight of 351.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 121135320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).