N-(3-cyano-4-fluorophenyl)-1-methylimidazole-4-sulfonamide

C11H9FN4O2S — CID 62373465

IUPACN-(3-cyano-4-fluorophenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(F)c(C#N)c2)c1
InChIInChI=1S/C11H9FN4O2S/c1-16-6-11(14-7-16)19(17,18)15-9-2-3-10(12)8(4-9)5-13/h2-4,6-7,15H,1H3
InChIKeyKCMYXGSLJPHHFA-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.23
Rot. Bonds3

About N-(3-cyano-4-fluorophenyl)-1-methylimidazole-4-sulfonamide

N-(3-cyano-4-fluorophenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 62373465) has the molecular formula C11H9FN4O2S and a molecular weight of 280.28 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-1-methylimidazole-4-sulfonamide
PubChem CID62373465
Molecular FormulaC11H9FN4O2S
Molecular Weight280.28 g/mol
Exact Mass280.04
IUPAC NameN-(3-cyano-4-fluorophenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(F)c(C#N)c2)c1
InChIInChI=1S/C11H9FN4O2S/c1-16-6-11(14-7-16)19(17,18)15-9-2-3-10(12)8(4-9)5-13/h2-4,6-7,15H,1H3
InChIKeyKCMYXGSLJPHHFA-UHFFFAOYSA-N
XLogP1.23
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-1-methylimidazole-4-sulfonamide (CID 62373465) is N-(3-cyano-4-fluorophenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc(F)c(C#N)c2)c1.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is KCMYXGSLJPHHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O2S/c1-16-6-11(14-7-16)19(17,18)15-9-2-3-10(12)8(4-9)5-13/h2-4,6-7,15H,1H3.
What are the key properties of N-(3-cyano-4-fluorophenyl)-1-methylimidazole-4-sulfonamide?
N-(3-cyano-4-fluorophenyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 280.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 62373465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).