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

C18H21N3O4S — CID 77082121

IUPAC3-(azetidine-1-carbonyl)-N-(2-methoxy-1-pyridin-2-ylethyl)benzenesulfonamide
SMILESCOCC(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
InChIKeyPJVABKHQTKHEQL-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.59
Rot. Bonds7

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

3-(azetidine-1-carbonyl)-N-(2-methoxy-1-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 77082121) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-(azetidine-1-carbonyl)-N-(2-methoxy-1-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(azetidine-1-carbonyl)-N-(2-methoxy-1-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID77082121
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name3-(azetidine-1-carbonyl)-N-(2-methoxy-1-pyridin-2-ylethyl)benzenesulfonamide
SMILESCOCC(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
InChIKeyPJVABKHQTKHEQL-UHFFFAOYSA-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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Related Compounds

3-(azetidine-1-carbonyl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]benzenesulfonamide
CID 99929518
2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide
CID 125437016
3-[(3-cyclopropylphenyl)sulfonylamino]-3-pyridin-2-ylpropanoic acid
CID 166266133
1-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55933258
N-(4-ethoxyphenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 27255853
methyl 3-[[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylamino]benzoate
CID 47946892
methyl 4-[[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylamino]benzoate
CID 47946370
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
CID 16768421
N-(1-phenylethyl)-3-(thiomorpholine-4-carbonyl)benzenesulfonamide
CID 78902809
N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 55565689
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 77083005

Frequently Asked Questions

What is the IUPAC name of 3-(azetidine-1-carbonyl)-N-(2-methoxy-1-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 3-(azetidine-1-carbonyl)-N-(2-methoxy-1-pyridin-2-ylethyl)benzenesulfonamide (CID 77082121) is 3-(azetidine-1-carbonyl)-N-(2-methoxy-1-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-(azetidine-1-carbonyl)-N-(2-methoxy-1-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-(azetidine-1-carbonyl)-N-(2-methoxy-1-pyridin-2-ylethyl)benzenesulfonamide is COCC(NS(=O)(=O)c1cccc(C(=O)N2CCC2)c1)c1ccccn1.
What is the InChIKey of 3-(azetidine-1-carbonyl)-N-(2-methoxy-1-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is PJVABKHQTKHEQL-UHFFFAOYSA-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.
What are the key properties of 3-(azetidine-1-carbonyl)-N-(2-methoxy-1-pyridin-2-ylethyl)benzenesulfonamide?
3-(azetidine-1-carbonyl)-N-(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-(2-methoxy-1-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 77082121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).