4-fluoro-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide

C15H16FN3O3S — CID 7618448

IUPAC4-fluoro-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide
SMILESO=C(NCCS(=O)(=O)NCc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O3S/c16-14-5-3-13(4-6-14)15(20)18-8-9-23(21,22)19-11-12-2-1-7-17-10-12/h1-7,10,19H,8-9,11H2,(H,18,20)
InChIKeyCOTSVRQDBVRMPT-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.07
Rot. Bonds7

About 4-fluoro-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide

4-fluoro-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide (PubChem CID 7618448) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-fluoro-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide
PubChem CID7618448
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Name4-fluoro-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide
SMILESO=C(NCCS(=O)(=O)NCc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O3S/c16-14-5-3-13(4-6-14)15(20)18-8-9-23(21,22)19-11-12-2-1-7-17-10-12/h1-7,10,19H,8-9,11H2,(H,18,20)
InChIKeyCOTSVRQDBVRMPT-UHFFFAOYSA-N
XLogP1.07
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide
CID 110345177
N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]furan-2-carboxamide
CID 44995255
N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]thiophene-2-carboxamide
CID 44995257
4-N-(4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047677
N-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide
CID 51086157
N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060926
N-[2-(2-bromoethylsulfamoyl)ethyl]-4-fluorobenzamide
CID 7618369
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
N-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 142724613
3-N-[2-(4-fluorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105993
4-fluoro-N-[2-(2-methylpropylsulfamoyl)ethyl]benzamide
CID 7618372
2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 54973657

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide (CID 7618448) is 4-fluoro-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide is O=C(NCCS(=O)(=O)NCc1cccnc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide?
The InChIKey is COTSVRQDBVRMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c16-14-5-3-13(4-6-14)15(20)18-8-9-23(21,22)19-11-12-2-1-7-17-10-12/h1-7,10,19H,8-9,11H2,(H,18,20).
What are the key properties of 4-fluoro-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide?
4-fluoro-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide has a molecular weight of 337.38 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide is sourced from PubChem (CID 7618448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).