N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]pyridine-3-sulfonamide

C18H21N3O4S — CID 56808404

IUPACN-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]pyridine-3-sulfonamide
SMILESO=C(CCNS(=O)(=O)c1cccnc1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H21N3O4S/c22-18(8-10-20-26(23,24)16-7-4-9-19-13-16)21-11-12-25-17(14-21)15-5-2-1-3-6-15/h1-7,9,13,17,20H,8,10-12,14H2
InChIKeyJEKNDQQBEVMWAH-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.35
Rot. Bonds6

About N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]pyridine-3-sulfonamide

N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]pyridine-3-sulfonamide (PubChem CID 56808404) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]pyridine-3-sulfonamide
PubChem CID56808404
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]pyridine-3-sulfonamide
SMILESO=C(CCNS(=O)(=O)c1cccnc1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H21N3O4S/c22-18(8-10-20-26(23,24)16-7-4-9-19-13-16)21-11-12-25-17(14-21)15-5-2-1-3-6-15/h1-7,9,13,17,20H,8,10-12,14H2
InChIKeyJEKNDQQBEVMWAH-UHFFFAOYSA-N
XLogP1.35
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]pyridine-3-sulfonamide?
The IUPAC name of N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]pyridine-3-sulfonamide (CID 56808404) is N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]pyridine-3-sulfonamide is O=C(CCNS(=O)(=O)c1cccnc1)N1CCOC(c2ccccc2)C1.
What is the InChIKey of N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]pyridine-3-sulfonamide?
The InChIKey is JEKNDQQBEVMWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c22-18(8-10-20-26(23,24)16-7-4-9-19-13-16)21-11-12-25-17(14-21)15-5-2-1-3-6-15/h1-7,9,13,17,20H,8,10-12,14H2.
What are the key properties of N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]pyridine-3-sulfonamide?
N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]pyridine-3-sulfonamide has a molecular weight of 375.45 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]pyridine-3-sulfonamide is sourced from PubChem (CID 56808404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).