N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide

C19H17FN2O4S — CID 21007615

IUPACN-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide
SMILESCc1cc(S(=O)(=O)C(CNC(=O)c2ccco2)c2cccnc2)ccc1F
InChIInChI=1S/C19H17FN2O4S/c1-13-10-15(6-7-16(13)20)27(24,25)18(14-4-2-8-21-11-14)12-22-19(23)17-5-3-9-26-17/h2-11,18H,12H2,1H3,(H,22,23)
InChIKeyORGZOBALMLPUMQ-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.07
Rot. Bonds6

About N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide

N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide (PubChem CID 21007615) has the molecular formula C19H17FN2O4S and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide
PubChem CID21007615
Molecular FormulaC19H17FN2O4S
Molecular Weight388.42 g/mol
Exact Mass388.09
IUPAC NameN-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide
SMILESCc1cc(S(=O)(=O)C(CNC(=O)c2ccco2)c2cccnc2)ccc1F
InChIInChI=1S/C19H17FN2O4S/c1-13-10-15(6-7-16(13)20)27(24,25)18(14-4-2-8-21-11-14)12-22-19(23)17-5-3-9-26-17/h2-11,18H,12H2,1H3,(H,22,23)
InChIKeyORGZOBALMLPUMQ-UHFFFAOYSA-N
XLogP3.07
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide (CID 21007615) is N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide is Cc1cc(S(=O)(=O)C(CNC(=O)c2ccco2)c2cccnc2)ccc1F.
What is the InChIKey of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide?
The InChIKey is ORGZOBALMLPUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4S/c1-13-10-15(6-7-16(13)20)27(24,25)18(14-4-2-8-21-11-14)12-22-19(23)17-5-3-9-26-17/h2-11,18H,12H2,1H3,(H,22,23).
What are the key properties of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide?
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 21007615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).