1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]imidazole-4-sulfonamide

C17H15F3N4O4S2 — CID 166206509

IUPAC1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C17H15F3N4O4S2/c1-24-10-16(21-11-24)30(27,28)23-14-6-3-7-15(9-14)29(25,26)22-13-5-2-4-12(8-13)17(18,19)20/h2-11,22-23H,1H3
InChIKeyNIAIRKZHIKBQOP-UHFFFAOYSA-N
MW460.46 g/mol
LogP3.04
Rot. Bonds6

About 1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]imidazole-4-sulfonamide

1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]imidazole-4-sulfonamide (PubChem CID 166206509) has the molecular formula C17H15F3N4O4S2 and a molecular weight of 460.46 g/mol. Its IUPAC name is 1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]imidazole-4-sulfonamide
PubChem CID166206509
Molecular FormulaC17H15F3N4O4S2
Molecular Weight460.46 g/mol
Exact Mass460.05
IUPAC Name1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C17H15F3N4O4S2/c1-24-10-16(21-11-24)30(27,28)23-14-6-3-7-15(9-14)29(25,26)22-13-5-2-4-12(8-13)17(18,19)20/h2-11,22-23H,1H3
InChIKeyNIAIRKZHIKBQOP-UHFFFAOYSA-N
XLogP3.04
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 46897919
N'-hydroxy-3-[(1-methylimidazol-4-yl)sulfonylamino]benzenecarboximidamide
CID 76942000
3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42283326
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3860471
4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774180
1-methyl-2-oxo-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinoline-6-sulfonamide
CID 21015297
N-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide
CID 166205362

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]imidazole-4-sulfonamide (CID 166206509) is 1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)c1.
What is the InChIKey of 1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]imidazole-4-sulfonamide?
The InChIKey is NIAIRKZHIKBQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O4S2/c1-24-10-16(21-11-24)30(27,28)23-14-6-3-7-15(9-14)29(25,26)22-13-5-2-4-12(8-13)17(18,19)20/h2-11,22-23H,1H3.
What are the key properties of 1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]imidazole-4-sulfonamide?
1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]imidazole-4-sulfonamide has a molecular weight of 460.46 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]imidazole-4-sulfonamide is sourced from PubChem (CID 166206509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).