methyl 2-(2-morpholin-4-ylpropylamino)-5-sulfamoylbenzoate

C15H23N3O5S — CID 55626371

IUPACmethyl 2-(2-morpholin-4-ylpropylamino)-5-sulfamoylbenzoate
SMILESCOC(=O)c1cc(S(N)(=O)=O)ccc1NCC(C)N1CCOCC1
InChIInChI=1S/C15H23N3O5S/c1-11(18-5-7-23-8-6-18)10-17-14-4-3-12(24(16,20)21)9-13(14)15(19)22-2/h3-4,9,11,17H,5-8,10H2,1-2H3,(H2,16,20,21)
InChIKeyMAXWFULOCJNDQB-UHFFFAOYSA-N
MW357.43 g/mol
LogP0.25
Rot. Bonds6

About methyl 2-(2-morpholin-4-ylpropylamino)-5-sulfamoylbenzoate

methyl 2-(2-morpholin-4-ylpropylamino)-5-sulfamoylbenzoate (PubChem CID 55626371) has the molecular formula C15H23N3O5S and a molecular weight of 357.43 g/mol. Its IUPAC name is methyl 2-(2-morpholin-4-ylpropylamino)-5-sulfamoylbenzoate.

Molecular Properties

Compound Namemethyl 2-(2-morpholin-4-ylpropylamino)-5-sulfamoylbenzoate
PubChem CID55626371
Molecular FormulaC15H23N3O5S
Molecular Weight357.43 g/mol
Exact Mass357.14
IUPAC Namemethyl 2-(2-morpholin-4-ylpropylamino)-5-sulfamoylbenzoate
SMILESCOC(=O)c1cc(S(N)(=O)=O)ccc1NCC(C)N1CCOCC1
InChIInChI=1S/C15H23N3O5S/c1-11(18-5-7-23-8-6-18)10-17-14-4-3-12(24(16,20)21)9-13(14)15(19)22-2/h3-4,9,11,17H,5-8,10H2,1-2H3,(H2,16,20,21)
InChIKeyMAXWFULOCJNDQB-UHFFFAOYSA-N
XLogP0.25
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(3-methylbutylamino)-5-sulfamoylbenzoate
CID 47146285
methyl 2-(pentan-3-ylamino)-5-sulfamoylbenzoate
CID 47146282
methyl 2-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-5-nitrobenzoate
CID 55533713
N-(2-methoxy-5-sulfamoylphenyl)morpholine-4-carboxamide
CID 78994050
methyl 2-bromo-5-sulfamoylbenzoate
CID 43828340
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
4-(2-piperidin-1-ylpropylamino)benzenesulfonamide
CID 61017318
[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-morpholin-4-yl-5-sulfamoylbenzoate
CID 30080896
(4-propan-2-ylphenyl)methyl 2-morpholin-4-yl-5-sulfamoylbenzoate
CID 46815028
N-[4-(2-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide
CID 43064581
methyl 4-amino-2-morpholin-4-ylsulfonylbenzoate
CID 102930731
2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid
CID 43235564

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-morpholin-4-ylpropylamino)-5-sulfamoylbenzoate?
The IUPAC name of methyl 2-(2-morpholin-4-ylpropylamino)-5-sulfamoylbenzoate (CID 55626371) is methyl 2-(2-morpholin-4-ylpropylamino)-5-sulfamoylbenzoate.
What is the SMILES notation for methyl 2-(2-morpholin-4-ylpropylamino)-5-sulfamoylbenzoate?
The canonical SMILES for methyl 2-(2-morpholin-4-ylpropylamino)-5-sulfamoylbenzoate is COC(=O)c1cc(S(N)(=O)=O)ccc1NCC(C)N1CCOCC1.
What is the InChIKey of methyl 2-(2-morpholin-4-ylpropylamino)-5-sulfamoylbenzoate?
The InChIKey is MAXWFULOCJNDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S/c1-11(18-5-7-23-8-6-18)10-17-14-4-3-12(24(16,20)21)9-13(14)15(19)22-2/h3-4,9,11,17H,5-8,10H2,1-2H3,(H2,16,20,21).
What are the key properties of methyl 2-(2-morpholin-4-ylpropylamino)-5-sulfamoylbenzoate?
methyl 2-(2-morpholin-4-ylpropylamino)-5-sulfamoylbenzoate has a molecular weight of 357.43 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-morpholin-4-ylpropylamino)-5-sulfamoylbenzoate is sourced from PubChem (CID 55626371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).