2-(2-methylmorpholin-4-yl)-5-sulfamoylbenzoic acid

C12H16N2O5S — CID 43322690

IUPAC2-(2-methylmorpholin-4-yl)-5-sulfamoylbenzoic acid
SMILESCC1CN(c2ccc(S(N)(=O)=O)cc2C(=O)O)CCO1
InChIInChI=1S/C12H16N2O5S/c1-8-7-14(4-5-19-8)11-3-2-9(20(13,17)18)6-10(11)12(15)16/h2-3,6,8H,4-5,7H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyYOHAYMYJPIDFLV-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.26
Rot. Bonds3

About 2-(2-methylmorpholin-4-yl)-5-sulfamoylbenzoic acid

2-(2-methylmorpholin-4-yl)-5-sulfamoylbenzoic acid (PubChem CID 43322690) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(2-methylmorpholin-4-yl)-5-sulfamoylbenzoic acid.

Molecular Properties

Compound Name2-(2-methylmorpholin-4-yl)-5-sulfamoylbenzoic acid
PubChem CID43322690
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name2-(2-methylmorpholin-4-yl)-5-sulfamoylbenzoic acid
SMILESCC1CN(c2ccc(S(N)(=O)=O)cc2C(=O)O)CCO1
InChIInChI=1S/C12H16N2O5S/c1-8-7-14(4-5-19-8)11-3-2-9(20(13,17)18)6-10(11)12(15)16/h2-3,6,8H,4-5,7H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyYOHAYMYJPIDFLV-UHFFFAOYSA-N
XLogP0.26
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(hydroxymethyl)morpholin-4-yl]-5-sulfamoylbenzoic acid
CID 81195386
4-methyl-3-[(2R)-2-methyl-1,4-oxazepane-4-carbonyl]benzenesulfonamide
CID 124606077
methyl 2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-5-sulfamoylbenzoate
CID 94438401
2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-5-sulfamoylbenzoic acid
CID 138002938
2-[4-(2-fluoro-4-sulfamoylphenyl)morpholin-2-yl]acetic acid
CID 66433060
3-fluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide
CID 81219360
2-chloro-4-(2-methylmorpholin-4-yl)benzoic acid
CID 62946063
2-[methyl-(2-morpholin-4-yl-5-sulfamoylbenzoyl)amino]propanoic acid
CID 119358812
2-(2-methyl-1,4-oxazepan-4-yl)-5-methylsulfonylaniline
CID 55152193
2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-5-sulfamoylbenzoic acid
CID 136549577
5-[cyclopropyl(methyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid
CID 68839577
3-amino-N-methyl-4-(2-methylmorpholin-4-yl)benzamide
CID 82989034

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylmorpholin-4-yl)-5-sulfamoylbenzoic acid?
The IUPAC name of 2-(2-methylmorpholin-4-yl)-5-sulfamoylbenzoic acid (CID 43322690) is 2-(2-methylmorpholin-4-yl)-5-sulfamoylbenzoic acid.
What is the SMILES notation for 2-(2-methylmorpholin-4-yl)-5-sulfamoylbenzoic acid?
The canonical SMILES for 2-(2-methylmorpholin-4-yl)-5-sulfamoylbenzoic acid is CC1CN(c2ccc(S(N)(=O)=O)cc2C(=O)O)CCO1.
What is the InChIKey of 2-(2-methylmorpholin-4-yl)-5-sulfamoylbenzoic acid?
The InChIKey is YOHAYMYJPIDFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-8-7-14(4-5-19-8)11-3-2-9(20(13,17)18)6-10(11)12(15)16/h2-3,6,8H,4-5,7H2,1H3,(H,15,16)(H2,13,17,18).
What are the key properties of 2-(2-methylmorpholin-4-yl)-5-sulfamoylbenzoic acid?
2-(2-methylmorpholin-4-yl)-5-sulfamoylbenzoic acid has a molecular weight of 300.34 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylmorpholin-4-yl)-5-sulfamoylbenzoic acid is sourced from PubChem (CID 43322690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).