N-[[3-(morpholine-4-carbonyl)phenyl]methyl]-6-phenoxypyridine-3-sulfonamide

C23H23N3O5S — CID 68823912

IUPACN-[[3-(morpholine-4-carbonyl)phenyl]methyl]-6-phenoxypyridine-3-sulfonamide
SMILESO=C(c1cccc(CNS(=O)(=O)c2ccc(Oc3ccccc3)nc2)c1)N1CCOCC1
InChIInChI=1S/C23H23N3O5S/c27-23(26-11-13-30-14-12-26)19-6-4-5-18(15-19)16-25-32(28,29)21-9-10-22(24-17-21)31-20-7-2-1-3-8-20/h1-10,15,17,25H,11-14,16H2
InChIKeyONMNTUIYNAGQGQ-UHFFFAOYSA-N
MW453.52 g/mol
LogP2.82
Rot. Bonds7

About N-[[3-(morpholine-4-carbonyl)phenyl]methyl]-6-phenoxypyridine-3-sulfonamide

N-[[3-(morpholine-4-carbonyl)phenyl]methyl]-6-phenoxypyridine-3-sulfonamide (PubChem CID 68823912) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[[3-(morpholine-4-carbonyl)phenyl]methyl]-6-phenoxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[3-(morpholine-4-carbonyl)phenyl]methyl]-6-phenoxypyridine-3-sulfonamide
PubChem CID68823912
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC NameN-[[3-(morpholine-4-carbonyl)phenyl]methyl]-6-phenoxypyridine-3-sulfonamide
SMILESO=C(c1cccc(CNS(=O)(=O)c2ccc(Oc3ccccc3)nc2)c1)N1CCOCC1
InChIInChI=1S/C23H23N3O5S/c27-23(26-11-13-30-14-12-26)19-6-4-5-18(15-19)16-25-32(28,29)21-9-10-22(24-17-21)31-20-7-2-1-3-8-20/h1-10,15,17,25H,11-14,16H2
InChIKeyONMNTUIYNAGQGQ-UHFFFAOYSA-N
XLogP2.82
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 39659483
N-benzyl-4-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 4808018
N-benzyl-6-morpholin-4-ylpyridine-3-sulfonamide
CID 154844946
3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 47064934
3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
CID 32684364
ethane;N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide
CID 145404555
3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122029654
3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 109064852
N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 55565689
N-benzyl-3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 1007908
N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059407
6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-sulfonamide
CID 55872974

Frequently Asked Questions

What is the IUPAC name of N-[[3-(morpholine-4-carbonyl)phenyl]methyl]-6-phenoxypyridine-3-sulfonamide?
The IUPAC name of N-[[3-(morpholine-4-carbonyl)phenyl]methyl]-6-phenoxypyridine-3-sulfonamide (CID 68823912) is N-[[3-(morpholine-4-carbonyl)phenyl]methyl]-6-phenoxypyridine-3-sulfonamide.
What is the SMILES notation for N-[[3-(morpholine-4-carbonyl)phenyl]methyl]-6-phenoxypyridine-3-sulfonamide?
The canonical SMILES for N-[[3-(morpholine-4-carbonyl)phenyl]methyl]-6-phenoxypyridine-3-sulfonamide is O=C(c1cccc(CNS(=O)(=O)c2ccc(Oc3ccccc3)nc2)c1)N1CCOCC1.
What is the InChIKey of N-[[3-(morpholine-4-carbonyl)phenyl]methyl]-6-phenoxypyridine-3-sulfonamide?
The InChIKey is ONMNTUIYNAGQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c27-23(26-11-13-30-14-12-26)19-6-4-5-18(15-19)16-25-32(28,29)21-9-10-22(24-17-21)31-20-7-2-1-3-8-20/h1-10,15,17,25H,11-14,16H2.
What are the key properties of N-[[3-(morpholine-4-carbonyl)phenyl]methyl]-6-phenoxypyridine-3-sulfonamide?
N-[[3-(morpholine-4-carbonyl)phenyl]methyl]-6-phenoxypyridine-3-sulfonamide has a molecular weight of 453.52 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(morpholine-4-carbonyl)phenyl]methyl]-6-phenoxypyridine-3-sulfonamide is sourced from PubChem (CID 68823912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).