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

C21H19FN2O4S — CID 21002101

IUPACN-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(c1cccnc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O4S/c1-28-19-7-3-2-6-18(19)21(25)24-14-20(15-5-4-12-23-13-15)29(26,27)17-10-8-16(22)9-11-17/h2-13,20H,14H2,1H3,(H,24,25)
InChIKeyRJMIAHTWMFVRKF-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.17
Rot. Bonds7

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

N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methoxybenzamide (PubChem CID 21002101) has the molecular formula C21H19FN2O4S and a molecular weight of 414.46 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methoxybenzamide
PubChem CID21002101
Molecular FormulaC21H19FN2O4S
Molecular Weight414.46 g/mol
Exact Mass414.10
IUPAC NameN-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(c1cccnc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O4S/c1-28-19-7-3-2-6-18(19)21(25)24-14-20(15-5-4-12-23-13-15)29(26,27)17-10-8-16(22)9-11-17/h2-13,20H,14H2,1H3,(H,24,25)
InChIKeyRJMIAHTWMFVRKF-UHFFFAOYSA-N
XLogP3.17
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.17
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]-2-methoxybenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methoxybenzamide (CID 21002101) is N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCC(c1cccnc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methoxybenzamide?
The InChIKey is RJMIAHTWMFVRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4S/c1-28-19-7-3-2-6-18(19)21(25)24-14-20(15-5-4-12-23-13-15)29(26,27)17-10-8-16(22)9-11-17/h2-13,20H,14H2,1H3,(H,24,25).
What are the key properties of N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methoxybenzamide?
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methoxybenzamide has a molecular weight of 414.46 g/mol, XLogP of 3.17, 7 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]-2-methoxybenzamide is sourced from PubChem (CID 21002101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).