methyl 3-(4-fluorophenyl)-4-(5-sulfamoyl-2-pyridinyl)cyclopenta-2,4-diene-1-carboxylate

C18H15FN2O4S — CID 23370371

IUPACmethyl 3-(4-fluorophenyl)-4-(5-sulfamoyl-2-pyridinyl)cyclopenta-2,4-diene-1-carboxylate
SMILESCOC(=O)C1C=C(c2ccc(F)cc2)C(c2ccc(S(N)(=O)=O)cn2)=C1
InChIInChI=1S/C18H15FN2O4S/c1-25-18(22)12-8-15(11-2-4-13(19)5-3-11)16(9-12)17-7-6-14(10-21-17)26(20,23)24/h2-10,12H,1H3,(H2,20,23,24)
InChIKeyNJNNBBZVTBZCPO-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.14
Rot. Bonds4

About methyl 3-(4-fluorophenyl)-4-(5-sulfamoyl-2-pyridinyl)cyclopenta-2,4-diene-1-carboxylate

methyl 3-(4-fluorophenyl)-4-(5-sulfamoyl-2-pyridinyl)cyclopenta-2,4-diene-1-carboxylate (PubChem CID 23370371) has the molecular formula C18H15FN2O4S and a molecular weight of 374.39 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-4-(5-sulfamoyl-2-pyridinyl)cyclopenta-2,4-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-4-(5-sulfamoyl-2-pyridinyl)cyclopenta-2,4-diene-1-carboxylate
PubChem CID23370371
Molecular FormulaC18H15FN2O4S
Molecular Weight374.39 g/mol
Exact Mass374.07
IUPAC Namemethyl 3-(4-fluorophenyl)-4-(5-sulfamoyl-2-pyridinyl)cyclopenta-2,4-diene-1-carboxylate
SMILESCOC(=O)C1C=C(c2ccc(F)cc2)C(c2ccc(S(N)(=O)=O)cn2)=C1
InChIInChI=1S/C18H15FN2O4S/c1-25-18(22)12-8-15(11-2-4-13(19)5-3-11)16(9-12)17-7-6-14(10-21-17)26(20,23)24/h2-10,12H,1H3,(H2,20,23,24)
InChIKeyNJNNBBZVTBZCPO-UHFFFAOYSA-N
XLogP2.14
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-4-(5-sulfamoyl-2-pyridinyl)cyclopenta-2,4-diene-1-carboxylate?
The IUPAC name of methyl 3-(4-fluorophenyl)-4-(5-sulfamoyl-2-pyridinyl)cyclopenta-2,4-diene-1-carboxylate (CID 23370371) is methyl 3-(4-fluorophenyl)-4-(5-sulfamoyl-2-pyridinyl)cyclopenta-2,4-diene-1-carboxylate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-4-(5-sulfamoyl-2-pyridinyl)cyclopenta-2,4-diene-1-carboxylate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-4-(5-sulfamoyl-2-pyridinyl)cyclopenta-2,4-diene-1-carboxylate is COC(=O)C1C=C(c2ccc(F)cc2)C(c2ccc(S(N)(=O)=O)cn2)=C1.
What is the InChIKey of methyl 3-(4-fluorophenyl)-4-(5-sulfamoyl-2-pyridinyl)cyclopenta-2,4-diene-1-carboxylate?
The InChIKey is NJNNBBZVTBZCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4S/c1-25-18(22)12-8-15(11-2-4-13(19)5-3-11)16(9-12)17-7-6-14(10-21-17)26(20,23)24/h2-10,12H,1H3,(H2,20,23,24).
What are the key properties of methyl 3-(4-fluorophenyl)-4-(5-sulfamoyl-2-pyridinyl)cyclopenta-2,4-diene-1-carboxylate?
methyl 3-(4-fluorophenyl)-4-(5-sulfamoyl-2-pyridinyl)cyclopenta-2,4-diene-1-carboxylate has a molecular weight of 374.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-4-(5-sulfamoyl-2-pyridinyl)cyclopenta-2,4-diene-1-carboxylate is sourced from PubChem (CID 23370371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).