methyl 4-[(6-morpholin-4-yl-3-pyridinyl)methylsulfamoyl]benzoate

C18H21N3O5S — CID 25469683

IUPACmethyl 4-[(6-morpholin-4-yl-3-pyridinyl)methylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C18H21N3O5S/c1-25-18(22)15-3-5-16(6-4-15)27(23,24)20-13-14-2-7-17(19-12-14)21-8-10-26-11-9-21/h2-7,12,20H,8-11,13H2,1H3
InChIKeyFTZGUMAPGOVYGK-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.18
Rot. Bonds6

About methyl 4-[(6-morpholin-4-yl-3-pyridinyl)methylsulfamoyl]benzoate

methyl 4-[(6-morpholin-4-yl-3-pyridinyl)methylsulfamoyl]benzoate (PubChem CID 25469683) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is methyl 4-[(6-morpholin-4-yl-3-pyridinyl)methylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(6-morpholin-4-yl-3-pyridinyl)methylsulfamoyl]benzoate
PubChem CID25469683
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Namemethyl 4-[(6-morpholin-4-yl-3-pyridinyl)methylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C18H21N3O5S/c1-25-18(22)15-3-5-16(6-4-15)27(23,24)20-13-14-2-7-17(19-12-14)21-8-10-26-11-9-21/h2-7,12,20H,8-11,13H2,1H3
InChIKeyFTZGUMAPGOVYGK-UHFFFAOYSA-N
XLogP1.18
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-6-morpholin-4-ylpyridine-3-sulfonamide
CID 154844946
N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide
CID 35388894
4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 110405170
4-[(2-morpholin-4-yl-4-pyridinyl)methylsulfamoyl]benzamide
CID 55598355
2-methoxy-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47303387
methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056
methyl 4-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylsulfamoyl]benzoate
CID 16621838
tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
CID 63787976
4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 17424871
4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 30354650
3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 62727165
4-(2-methylpropoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 16602299

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-morpholin-4-yl-3-pyridinyl)methylsulfamoyl]benzoate?
The IUPAC name of methyl 4-[(6-morpholin-4-yl-3-pyridinyl)methylsulfamoyl]benzoate (CID 25469683) is methyl 4-[(6-morpholin-4-yl-3-pyridinyl)methylsulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[(6-morpholin-4-yl-3-pyridinyl)methylsulfamoyl]benzoate?
The canonical SMILES for methyl 4-[(6-morpholin-4-yl-3-pyridinyl)methylsulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)nc2)cc1.
What is the InChIKey of methyl 4-[(6-morpholin-4-yl-3-pyridinyl)methylsulfamoyl]benzoate?
The InChIKey is FTZGUMAPGOVYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-25-18(22)15-3-5-16(6-4-15)27(23,24)20-13-14-2-7-17(19-12-14)21-8-10-26-11-9-21/h2-7,12,20H,8-11,13H2,1H3.
What are the key properties of methyl 4-[(6-morpholin-4-yl-3-pyridinyl)methylsulfamoyl]benzoate?
methyl 4-[(6-morpholin-4-yl-3-pyridinyl)methylsulfamoyl]benzoate has a molecular weight of 391.45 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-morpholin-4-yl-3-pyridinyl)methylsulfamoyl]benzoate is sourced from PubChem (CID 25469683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).