N-[4-(difluoromethoxy)phenyl]-1-methylimidazole-4-sulfonamide

C11H11F2N3O3S — CID 2815194

IUPACN-[4-(difluoromethoxy)phenyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C11H11F2N3O3S/c1-16-6-10(14-7-16)20(17,18)15-8-2-4-9(5-3-8)19-11(12)13/h2-7,11,15H,1H3
InChIKeyLPFALQSBUORXCA-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.82
Rot. Bonds5

About N-[4-(difluoromethoxy)phenyl]-1-methylimidazole-4-sulfonamide

N-[4-(difluoromethoxy)phenyl]-1-methylimidazole-4-sulfonamide (PubChem CID 2815194) has the molecular formula C11H11F2N3O3S and a molecular weight of 303.29 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-1-methylimidazole-4-sulfonamide
PubChem CID2815194
Molecular FormulaC11H11F2N3O3S
Molecular Weight303.29 g/mol
Exact Mass303.05
IUPAC NameN-[4-(difluoromethoxy)phenyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C11H11F2N3O3S/c1-16-6-10(14-7-16)20(17,18)15-8-2-4-9(5-3-8)19-11(12)13/h2-7,11,15H,1H3
InChIKeyLPFALQSBUORXCA-UHFFFAOYSA-N
XLogP1.82
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-1-methylimidazole-4-sulfonamide (CID 2815194) is N-[4-(difluoromethoxy)phenyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)c1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is LPFALQSBUORXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O3S/c1-16-6-10(14-7-16)20(17,18)15-8-2-4-9(5-3-8)19-11(12)13/h2-7,11,15H,1H3.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-1-methylimidazole-4-sulfonamide?
N-[4-(difluoromethoxy)phenyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 303.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 2815194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).