methyl 5-[(2-fluorophenyl)methyl-methylsulfamoyl]pyridine-3-carboxylate

C15H15FN2O4S — CID 99801225

IUPACmethyl 5-[(2-fluorophenyl)methyl-methylsulfamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(S(=O)(=O)N(C)Cc2ccccc2F)c1
InChIInChI=1S/C15H15FN2O4S/c1-18(10-11-5-3-4-6-14(11)16)23(20,21)13-7-12(8-17-9-13)15(19)22-2/h3-9H,10H2,1-2H3
InChIKeyKYGPIAURMVEDAC-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.83
Rot. Bonds5

About methyl 5-[(2-fluorophenyl)methyl-methylsulfamoyl]pyridine-3-carboxylate

methyl 5-[(2-fluorophenyl)methyl-methylsulfamoyl]pyridine-3-carboxylate (PubChem CID 99801225) has the molecular formula C15H15FN2O4S and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 5-[(2-fluorophenyl)methyl-methylsulfamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-fluorophenyl)methyl-methylsulfamoyl]pyridine-3-carboxylate
PubChem CID99801225
Molecular FormulaC15H15FN2O4S
Molecular Weight338.36 g/mol
Exact Mass338.07
IUPAC Namemethyl 5-[(2-fluorophenyl)methyl-methylsulfamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(S(=O)(=O)N(C)Cc2ccccc2F)c1
InChIInChI=1S/C15H15FN2O4S/c1-18(10-11-5-3-4-6-14(11)16)23(20,21)13-7-12(8-17-9-13)15(19)22-2/h3-9H,10H2,1-2H3
InChIKeyKYGPIAURMVEDAC-UHFFFAOYSA-N
XLogP1.83
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 47267533
methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate
CID 26528290
3-bromo-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 30329135
6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 31391554
3-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937737
3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937738
4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 43578997
methyl 3-[methyl-[(2-morpholin-4-ylphenyl)methyl]sulfamoyl]benzoate
CID 31767085
methyl 4-[(2-fluorophenyl)methyl-methylsulfamoyl]butanoate
CID 61460454
3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide
CID 103299462
N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 31138593
methyl 5-[(2-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylate
CID 134047005

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-fluorophenyl)methyl-methylsulfamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[(2-fluorophenyl)methyl-methylsulfamoyl]pyridine-3-carboxylate (CID 99801225) is methyl 5-[(2-fluorophenyl)methyl-methylsulfamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[(2-fluorophenyl)methyl-methylsulfamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[(2-fluorophenyl)methyl-methylsulfamoyl]pyridine-3-carboxylate is COC(=O)c1cncc(S(=O)(=O)N(C)Cc2ccccc2F)c1.
What is the InChIKey of methyl 5-[(2-fluorophenyl)methyl-methylsulfamoyl]pyridine-3-carboxylate?
The InChIKey is KYGPIAURMVEDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4S/c1-18(10-11-5-3-4-6-14(11)16)23(20,21)13-7-12(8-17-9-13)15(19)22-2/h3-9H,10H2,1-2H3.
What are the key properties of methyl 5-[(2-fluorophenyl)methyl-methylsulfamoyl]pyridine-3-carboxylate?
methyl 5-[(2-fluorophenyl)methyl-methylsulfamoyl]pyridine-3-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-fluorophenyl)methyl-methylsulfamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 99801225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).