methyl 6-[[3-(methylsulfamoyl)phenyl]methylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate

C19H24N4O7S2 — CID 55827594

IUPACmethyl 6-[[3-(methylsulfamoyl)phenyl]methylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate
SMILESCNS(=O)(=O)c1cccc(CNc2ncc(C(=O)OC)cc2S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H24N4O7S2/c1-20-31(25,26)16-5-3-4-14(10-16)12-21-18-17(11-15(13-22-18)19(24)29-2)32(27,28)23-6-8-30-9-7-23/h3-5,10-11,13,20H,6-9,12H2,1-2H3,(H,21,22)
InChIKeyWHEJWQGNMKPDQO-UHFFFAOYSA-N
MW484.56 g/mol
LogP0.41
Rot. Bonds8

About methyl 6-[[3-(methylsulfamoyl)phenyl]methylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate

methyl 6-[[3-(methylsulfamoyl)phenyl]methylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate (PubChem CID 55827594) has the molecular formula C19H24N4O7S2 and a molecular weight of 484.56 g/mol. Its IUPAC name is methyl 6-[[3-(methylsulfamoyl)phenyl]methylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[3-(methylsulfamoyl)phenyl]methylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate
PubChem CID55827594
Molecular FormulaC19H24N4O7S2
Molecular Weight484.56 g/mol
Exact Mass484.11
IUPAC Namemethyl 6-[[3-(methylsulfamoyl)phenyl]methylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate
SMILESCNS(=O)(=O)c1cccc(CNc2ncc(C(=O)OC)cc2S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H24N4O7S2/c1-20-31(25,26)16-5-3-4-14(10-16)12-21-18-17(11-15(13-22-18)19(24)29-2)32(27,28)23-6-8-30-9-7-23/h3-5,10-11,13,20H,6-9,12H2,1-2H3,(H,21,22)
InChIKeyWHEJWQGNMKPDQO-UHFFFAOYSA-N
XLogP0.41
TPSA144.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 6-[[3-(methylsulfamoyl)phenyl]methylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate with MolForge

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Related Compounds

methyl 6-[2-(3-chlorophenyl)ethylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate
CID 55832622
methyl 5-morpholin-4-ylsulfonyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate
CID 51116284
[2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 25044862
N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide
CID 49236430
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
N-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 55680935
methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate
CID 9112932
(3S)-3-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]morpholine-4-carboxamide
CID 94031214
methyl 6-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate
CID 55829991
4-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30858798
methyl 3-(3-morpholin-4-ylsulfonylbenzoyl)oxybenzoate
CID 7924246
N-[(3-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1456436

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[3-(methylsulfamoyl)phenyl]methylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate?
The IUPAC name of methyl 6-[[3-(methylsulfamoyl)phenyl]methylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate (CID 55827594) is methyl 6-[[3-(methylsulfamoyl)phenyl]methylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[3-(methylsulfamoyl)phenyl]methylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[3-(methylsulfamoyl)phenyl]methylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate is CNS(=O)(=O)c1cccc(CNc2ncc(C(=O)OC)cc2S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of methyl 6-[[3-(methylsulfamoyl)phenyl]methylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate?
The InChIKey is WHEJWQGNMKPDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O7S2/c1-20-31(25,26)16-5-3-4-14(10-16)12-21-18-17(11-15(13-22-18)19(24)29-2)32(27,28)23-6-8-30-9-7-23/h3-5,10-11,13,20H,6-9,12H2,1-2H3,(H,21,22).
What are the key properties of methyl 6-[[3-(methylsulfamoyl)phenyl]methylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate?
methyl 6-[[3-(methylsulfamoyl)phenyl]methylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate has a molecular weight of 484.56 g/mol, XLogP of 0.41, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[3-(methylsulfamoyl)phenyl]methylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate is sourced from PubChem (CID 55827594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).