3-(azetidine-1-carbonyl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]benzenesulfonamide

C18H21N3O4S — CID 99929518

IUPAC3-(azetidine-1-carbonyl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]benzenesulfonamide
SMILESCOC[C@H](NS(=O)(=O)c1cccc(C(=O)N2CCC2)c1)c1ccccn1
InChIInChI=1S/C18H21N3O4S/c1-25-13-17(16-8-2-3-9-19-16)20-26(23,24)15-7-4-6-14(12-15)18(22)21-10-5-11-21/h2-4,6-9,12,17,20H,5,10-11,13H2,1H3/t17-/m0/s1
InChIKeyPJVABKHQTKHEQL-KRWDZBQOSA-N
MW375.45 g/mol
LogP1.59
Rot. Bonds7

About 3-(azetidine-1-carbonyl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]benzenesulfonamide

3-(azetidine-1-carbonyl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]benzenesulfonamide (PubChem CID 99929518) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-(azetidine-1-carbonyl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(azetidine-1-carbonyl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]benzenesulfonamide
PubChem CID99929518
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name3-(azetidine-1-carbonyl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]benzenesulfonamide
SMILESCOC[C@H](NS(=O)(=O)c1cccc(C(=O)N2CCC2)c1)c1ccccn1
InChIInChI=1S/C18H21N3O4S/c1-25-13-17(16-8-2-3-9-19-16)20-26(23,24)15-7-4-6-14(12-15)18(22)21-10-5-11-21/h2-4,6-9,12,17,20H,5,10-11,13H2,1H3/t17-/m0/s1
InChIKeyPJVABKHQTKHEQL-KRWDZBQOSA-N
XLogP1.59
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidine-1-carbonyl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]benzenesulfonamide?
The IUPAC name of 3-(azetidine-1-carbonyl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]benzenesulfonamide (CID 99929518) is 3-(azetidine-1-carbonyl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]benzenesulfonamide.
What is the SMILES notation for 3-(azetidine-1-carbonyl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]benzenesulfonamide?
The canonical SMILES for 3-(azetidine-1-carbonyl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]benzenesulfonamide is COC[C@H](NS(=O)(=O)c1cccc(C(=O)N2CCC2)c1)c1ccccn1.
What is the InChIKey of 3-(azetidine-1-carbonyl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]benzenesulfonamide?
The InChIKey is PJVABKHQTKHEQL-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-25-13-17(16-8-2-3-9-19-16)20-26(23,24)15-7-4-6-14(12-15)18(22)21-10-5-11-21/h2-4,6-9,12,17,20H,5,10-11,13H2,1H3/t17-/m0/s1.
What are the key properties of 3-(azetidine-1-carbonyl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]benzenesulfonamide?
3-(azetidine-1-carbonyl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]benzenesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidine-1-carbonyl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]benzenesulfonamide is sourced from PubChem (CID 99929518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).