5-[ethyl-[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]pyridine-3-carboxamide

C16H18FN3O3S — CID 176509330

IUPAC5-[ethyl-[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]pyridine-3-carboxamide
SMILESCCN([C@H](C)c1ccc(F)cc1)S(=O)(=O)c1cncc(C(N)=O)c1
InChIInChI=1S/C16H18FN3O3S/c1-3-20(11(2)12-4-6-14(17)7-5-12)24(22,23)15-8-13(16(18)21)9-19-10-15/h4-11H,3H2,1-2H3,(H2,18,21)/t11-/m1/s1
InChIKeyUVTQGMUCBNTFLD-LLVKDONJSA-N
MW351.40 g/mol
LogP2.09
Rot. Bonds6

About 5-[ethyl-[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]pyridine-3-carboxamide

5-[ethyl-[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]pyridine-3-carboxamide (PubChem CID 176509330) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 5-[ethyl-[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[ethyl-[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]pyridine-3-carboxamide
PubChem CID176509330
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name5-[ethyl-[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]pyridine-3-carboxamide
SMILESCCN([C@H](C)c1ccc(F)cc1)S(=O)(=O)c1cncc(C(N)=O)c1
InChIInChI=1S/C16H18FN3O3S/c1-3-20(11(2)12-4-6-14(17)7-5-12)24(22,23)15-8-13(16(18)21)9-19-10-15/h4-11H,3H2,1-2H3,(H2,18,21)/t11-/m1/s1
InChIKeyUVTQGMUCBNTFLD-LLVKDONJSA-N
XLogP2.09
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]pyridine-3-carboxamide?
The IUPAC name of 5-[ethyl-[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]pyridine-3-carboxamide (CID 176509330) is 5-[ethyl-[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[ethyl-[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[ethyl-[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]pyridine-3-carboxamide is CCN([C@H](C)c1ccc(F)cc1)S(=O)(=O)c1cncc(C(N)=O)c1.
What is the InChIKey of 5-[ethyl-[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]pyridine-3-carboxamide?
The InChIKey is UVTQGMUCBNTFLD-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-3-20(11(2)12-4-6-14(17)7-5-12)24(22,23)15-8-13(16(18)21)9-19-10-15/h4-11H,3H2,1-2H3,(H2,18,21)/t11-/m1/s1.
What are the key properties of 5-[ethyl-[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]pyridine-3-carboxamide?
5-[ethyl-[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]pyridine-3-carboxamide has a molecular weight of 351.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]pyridine-3-carboxamide is sourced from PubChem (CID 176509330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).