5-amino-N-[2-(difluoromethylsulfanyl)phenyl]-3-methylimidazole-4-sulfonamide

C11H12F2N4O2S2 — CID 63977730

IUPAC5-amino-N-[2-(difluoromethylsulfanyl)phenyl]-3-methylimidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C11H12F2N4O2S2/c1-17-6-15-9(14)10(17)21(18,19)16-7-4-2-3-5-8(7)20-11(12)13/h2-6,11,16H,14H2,1H3
InChIKeyCFVFGSLYKCYGOX-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.12
Rot. Bonds5

About 5-amino-N-[2-(difluoromethylsulfanyl)phenyl]-3-methylimidazole-4-sulfonamide

5-amino-N-[2-(difluoromethylsulfanyl)phenyl]-3-methylimidazole-4-sulfonamide (PubChem CID 63977730) has the molecular formula C11H12F2N4O2S2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 5-amino-N-[2-(difluoromethylsulfanyl)phenyl]-3-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[2-(difluoromethylsulfanyl)phenyl]-3-methylimidazole-4-sulfonamide
PubChem CID63977730
Molecular FormulaC11H12F2N4O2S2
Molecular Weight334.37 g/mol
Exact Mass334.04
IUPAC Name5-amino-N-[2-(difluoromethylsulfanyl)phenyl]-3-methylimidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C11H12F2N4O2S2/c1-17-6-15-9(14)10(17)21(18,19)16-7-4-2-3-5-8(7)20-11(12)13/h2-6,11,16H,14H2,1H3
InChIKeyCFVFGSLYKCYGOX-UHFFFAOYSA-N
XLogP2.12
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(difluoromethylsulfanyl)phenyl]-3-methylimidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[2-(difluoromethylsulfanyl)phenyl]-3-methylimidazole-4-sulfonamide (CID 63977730) is 5-amino-N-[2-(difluoromethylsulfanyl)phenyl]-3-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[2-(difluoromethylsulfanyl)phenyl]-3-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[2-(difluoromethylsulfanyl)phenyl]-3-methylimidazole-4-sulfonamide is Cn1cnc(N)c1S(=O)(=O)Nc1ccccc1SC(F)F.
What is the InChIKey of 5-amino-N-[2-(difluoromethylsulfanyl)phenyl]-3-methylimidazole-4-sulfonamide?
The InChIKey is CFVFGSLYKCYGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O2S2/c1-17-6-15-9(14)10(17)21(18,19)16-7-4-2-3-5-8(7)20-11(12)13/h2-6,11,16H,14H2,1H3.
What are the key properties of 5-amino-N-[2-(difluoromethylsulfanyl)phenyl]-3-methylimidazole-4-sulfonamide?
5-amino-N-[2-(difluoromethylsulfanyl)phenyl]-3-methylimidazole-4-sulfonamide has a molecular weight of 334.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(difluoromethylsulfanyl)phenyl]-3-methylimidazole-4-sulfonamide is sourced from PubChem (CID 63977730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).