2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]acetamide

C18H14F4N4O3S — CID 176551637

IUPAC2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2F)ccc1-c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C18H14F4N4O3S/c19-13-4-2-1-3-10(13)7-16(27)25-11-5-6-12(14(8-11)30(23,28)29)17-24-9-15(26-17)18(20,21)22/h1-6,8-9H,7H2,(H,24,26)(H,25,27)(H2,23,28,29)
InChIKeyMRZIKVYMMGOBKN-UHFFFAOYSA-N
MW442.39 g/mol
LogP3.06
Rot. Bonds5

About 2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]acetamide

2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]acetamide (PubChem CID 176551637) has the molecular formula C18H14F4N4O3S and a molecular weight of 442.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]acetamide
PubChem CID176551637
Molecular FormulaC18H14F4N4O3S
Molecular Weight442.39 g/mol
Exact Mass442.07
IUPAC Name2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2F)ccc1-c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C18H14F4N4O3S/c19-13-4-2-1-3-10(13)7-16(27)25-11-5-6-12(14(8-11)30(23,28)29)17-24-9-15(26-17)18(20,21)22/h1-6,8-9H,7H2,(H,24,26)(H,25,27)(H2,23,28,29)
InChIKeyMRZIKVYMMGOBKN-UHFFFAOYSA-N
XLogP3.06
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.39
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide
CID 163830202
2-(2-chlorophenyl)-N-[4-(1-cyclopropylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide;N-[4-(1-cyclopentylpyrazol-4-yl)-3-sulfamoylphenyl]-2-(2-fluorophenyl)acetamide
CID 159420717
2-(2-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 26906999
2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[4-(1,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide
CID 175573072
2,2,2-trifluoro-N-[4-[[2-(2-fluorophenyl)acetyl]amino]phenyl]acetamide
CID 108933170
3-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)propanamide
CID 9428553
2-(2-fluorophenyl)-N-(6-methyl-3-pyridinyl)acetamide
CID 112532440
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113018345
4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide
CID 134604003
N-[4-(4-fluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide
CID 112986867
N-(5-bromo-6-chloro-3-pyridinyl)-2-(2-fluorophenyl)acetamide
CID 103816476
N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-fluorophenyl)acetamide
CID 9108286

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]acetamide (CID 176551637) is 2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]acetamide is NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2F)ccc1-c1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]acetamide?
The InChIKey is MRZIKVYMMGOBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O3S/c19-13-4-2-1-3-10(13)7-16(27)25-11-5-6-12(14(8-11)30(23,28)29)17-24-9-15(26-17)18(20,21)22/h1-6,8-9H,7H2,(H,24,26)(H,25,27)(H2,23,28,29).
What are the key properties of 2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]acetamide?
2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]acetamide has a molecular weight of 442.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 176551637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).