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

C18H15FN2O4S — CID 21002093

IUPACN-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide
SMILESO=C(NCC(c1cccnc1)S(=O)(=O)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C18H15FN2O4S/c19-14-5-7-15(8-6-14)26(23,24)17(13-3-1-9-20-11-13)12-21-18(22)16-4-2-10-25-16/h1-11,17H,12H2,(H,21,22)
InChIKeyPBHOUIZAWWOASF-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.76
Rot. Bonds6

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

N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide (PubChem CID 21002093) has the molecular formula C18H15FN2O4S and a molecular weight of 374.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide
PubChem CID21002093
Molecular FormulaC18H15FN2O4S
Molecular Weight374.39 g/mol
Exact Mass374.07
IUPAC NameN-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide
SMILESO=C(NCC(c1cccnc1)S(=O)(=O)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C18H15FN2O4S/c19-14-5-7-15(8-6-14)26(23,24)17(13-3-1-9-20-11-13)12-21-18(22)16-4-2-10-25-16/h1-11,17H,12H2,(H,21,22)
InChIKeyPBHOUIZAWWOASF-UHFFFAOYSA-N
XLogP2.76
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide (CID 21002093) is N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide is O=C(NCC(c1cccnc1)S(=O)(=O)c1ccc(F)cc1)c1ccco1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide?
The InChIKey is PBHOUIZAWWOASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4S/c19-14-5-7-15(8-6-14)26(23,24)17(13-3-1-9-20-11-13)12-21-18(22)16-4-2-10-25-16/h1-11,17H,12H2,(H,21,22).
What are the key properties of N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide?
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide has a molecular weight of 374.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 21002093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).