ethyl 5-[(3-fluoro-4-methylphenyl)sulfamoyl]-1H-pyrazole-3-carboxylate

C13H14FN3O4S — CID 22579147

IUPACethyl 5-[(3-fluoro-4-methylphenyl)sulfamoyl]-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(F)c2)[nH]n1
InChIInChI=1S/C13H14FN3O4S/c1-3-21-13(18)11-7-12(16-15-11)22(19,20)17-9-5-4-8(2)10(14)6-9/h4-7,17H,3H2,1-2H3,(H,15,16)
InChIKeyHOYQZBJZJBNOGP-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.83
Rot. Bonds5

About ethyl 5-[(3-fluoro-4-methylphenyl)sulfamoyl]-1H-pyrazole-3-carboxylate

ethyl 5-[(3-fluoro-4-methylphenyl)sulfamoyl]-1H-pyrazole-3-carboxylate (PubChem CID 22579147) has the molecular formula C13H14FN3O4S and a molecular weight of 327.34 g/mol. Its IUPAC name is ethyl 5-[(3-fluoro-4-methylphenyl)sulfamoyl]-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(3-fluoro-4-methylphenyl)sulfamoyl]-1H-pyrazole-3-carboxylate
PubChem CID22579147
Molecular FormulaC13H14FN3O4S
Molecular Weight327.34 g/mol
Exact Mass327.07
IUPAC Nameethyl 5-[(3-fluoro-4-methylphenyl)sulfamoyl]-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(F)c2)[nH]n1
InChIInChI=1S/C13H14FN3O4S/c1-3-21-13(18)11-7-12(16-15-11)22(19,20)17-9-5-4-8(2)10(14)6-9/h4-7,17H,3H2,1-2H3,(H,15,16)
InChIKeyHOYQZBJZJBNOGP-UHFFFAOYSA-N
XLogP1.83
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(furan-2-ylmethylsulfamoyl)-1H-pyrazole-3-carboxylate
CID 22579173
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 2121784
5-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 46297846
ethyl N-[4-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]carbamate
CID 60534530
ethyl 4-[(3,4-difluorophenyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938481
4-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 107509170
ethyl 2-chloro-4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 38011078
5-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 107495787
N-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrazole-5-sulfonamide
CID 46297860
2-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298856
5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide
CID 8501268
ethyl 5-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propylsulfamoyl]-1H-pyrazole-3-carboxylate
CID 118368037

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3-fluoro-4-methylphenyl)sulfamoyl]-1H-pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-[(3-fluoro-4-methylphenyl)sulfamoyl]-1H-pyrazole-3-carboxylate (CID 22579147) is ethyl 5-[(3-fluoro-4-methylphenyl)sulfamoyl]-1H-pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[(3-fluoro-4-methylphenyl)sulfamoyl]-1H-pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-[(3-fluoro-4-methylphenyl)sulfamoyl]-1H-pyrazole-3-carboxylate is CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(F)c2)[nH]n1.
What is the InChIKey of ethyl 5-[(3-fluoro-4-methylphenyl)sulfamoyl]-1H-pyrazole-3-carboxylate?
The InChIKey is HOYQZBJZJBNOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O4S/c1-3-21-13(18)11-7-12(16-15-11)22(19,20)17-9-5-4-8(2)10(14)6-9/h4-7,17H,3H2,1-2H3,(H,15,16).
What are the key properties of ethyl 5-[(3-fluoro-4-methylphenyl)sulfamoyl]-1H-pyrazole-3-carboxylate?
ethyl 5-[(3-fluoro-4-methylphenyl)sulfamoyl]-1H-pyrazole-3-carboxylate has a molecular weight of 327.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3-fluoro-4-methylphenyl)sulfamoyl]-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 22579147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).