ethyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1H-imidazole-5-carboxylate

C14H16FN3O4S — CID 136558313

IUPACethyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]c(C)nc1NS(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C14H16FN3O4S/c1-4-22-14(19)12-13(17-9(3)16-12)18-23(20,21)11-6-5-10(15)7-8(11)2/h5-7,18H,4H2,1-3H3,(H,16,17)
InChIKeyUBXWYMUGBJRYDT-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.14
Rot. Bonds5

About ethyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1H-imidazole-5-carboxylate

ethyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1H-imidazole-5-carboxylate (PubChem CID 136558313) has the molecular formula C14H16FN3O4S and a molecular weight of 341.36 g/mol. Its IUPAC name is ethyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1H-imidazole-5-carboxylate
PubChem CID136558313
Molecular FormulaC14H16FN3O4S
Molecular Weight341.36 g/mol
Exact Mass341.08
IUPAC Nameethyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]c(C)nc1NS(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C14H16FN3O4S/c1-4-22-14(19)12-13(17-9(3)16-12)18-23(20,21)11-6-5-10(15)7-8(11)2/h5-7,18H,4H2,1-3H3,(H,16,17)
InChIKeyUBXWYMUGBJRYDT-UHFFFAOYSA-N
XLogP2.14
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
N-(4-ethyl-1H-pyrazol-5-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 104621163
N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 112699331
2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 2569504
N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 43547468
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150
2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43344111
N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 62999070
ethyl 4-(ethylsulfamoyl)-3-methylbenzoate
CID 54478555
4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 24656227
4-fluoro-N-[4-(3-hydroxypentyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87756750
4-fluoro-2-methyl-N-(3-oxopentan-2-yl)benzenesulfonamide
CID 64994107

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1H-imidazole-5-carboxylate (CID 136558313) is ethyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]c(C)nc1NS(=O)(=O)c1ccc(F)cc1C.
What is the InChIKey of ethyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1H-imidazole-5-carboxylate?
The InChIKey is UBXWYMUGBJRYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O4S/c1-4-22-14(19)12-13(17-9(3)16-12)18-23(20,21)11-6-5-10(15)7-8(11)2/h5-7,18H,4H2,1-3H3,(H,16,17).
What are the key properties of ethyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1H-imidazole-5-carboxylate?
ethyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1H-imidazole-5-carboxylate has a molecular weight of 341.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1H-imidazole-5-carboxylate is sourced from PubChem (CID 136558313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).