2-[2-(hydroxymethyl)morpholin-4-yl]-5-sulfamoylbenzoic acid

C12H16N2O6S — CID 81195386

IUPAC2-[2-(hydroxymethyl)morpholin-4-yl]-5-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1ccc(N2CCOC(CO)C2)c(C(=O)O)c1
InChIInChI=1S/C12H16N2O6S/c13-21(18,19)9-1-2-11(10(5-9)12(16)17)14-3-4-20-8(6-14)7-15/h1-2,5,8,15H,3-4,6-7H2,(H,16,17)(H2,13,18,19)
InChIKeyWSKUVCOSFUDODI-UHFFFAOYSA-N
MW316.33 g/mol
LogP-0.77
Rot. Bonds4

About 2-[2-(hydroxymethyl)morpholin-4-yl]-5-sulfamoylbenzoic acid

2-[2-(hydroxymethyl)morpholin-4-yl]-5-sulfamoylbenzoic acid (PubChem CID 81195386) has the molecular formula C12H16N2O6S and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)morpholin-4-yl]-5-sulfamoylbenzoic acid.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)morpholin-4-yl]-5-sulfamoylbenzoic acid
PubChem CID81195386
Molecular FormulaC12H16N2O6S
Molecular Weight316.33 g/mol
Exact Mass316.07
IUPAC Name2-[2-(hydroxymethyl)morpholin-4-yl]-5-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1ccc(N2CCOC(CO)C2)c(C(=O)O)c1
InChIInChI=1S/C12H16N2O6S/c13-21(18,19)9-1-2-11(10(5-9)12(16)17)14-3-4-20-8(6-14)7-15/h1-2,5,8,15H,3-4,6-7H2,(H,16,17)(H2,13,18,19)
InChIKeyWSKUVCOSFUDODI-UHFFFAOYSA-N
XLogP-0.77
TPSA130.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide
CID 81219360
2-(2-methylmorpholin-4-yl)-5-sulfamoylbenzoic acid
CID 43322690
4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide
CID 81219831
2-[4-(2-fluoro-4-sulfamoylphenyl)morpholin-2-yl]acetic acid
CID 66433060
[4-(4-amino-2-bromophenyl)morpholin-2-yl]methanol
CID 81205561
2-amino-4-fluoro-5-[2-(hydroxymethyl)morpholin-4-yl]benzoic acid
CID 81219671
2-amino-4-[2-(hydroxymethyl)morpholin-4-yl]benzoic acid
CID 104500811
1-[5-fluoro-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone
CID 175171832
[4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol
CID 81205635
4-[2-(hydroxymethyl)morpholin-4-yl]-3-nitrobenzoic acid
CID 81204138
2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-5-sulfamoylbenzoic acid
CID 138002938
methyl 2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-5-sulfamoylbenzoate
CID 94438401

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)morpholin-4-yl]-5-sulfamoylbenzoic acid?
The IUPAC name of 2-[2-(hydroxymethyl)morpholin-4-yl]-5-sulfamoylbenzoic acid (CID 81195386) is 2-[2-(hydroxymethyl)morpholin-4-yl]-5-sulfamoylbenzoic acid.
What is the SMILES notation for 2-[2-(hydroxymethyl)morpholin-4-yl]-5-sulfamoylbenzoic acid?
The canonical SMILES for 2-[2-(hydroxymethyl)morpholin-4-yl]-5-sulfamoylbenzoic acid is NS(=O)(=O)c1ccc(N2CCOC(CO)C2)c(C(=O)O)c1.
What is the InChIKey of 2-[2-(hydroxymethyl)morpholin-4-yl]-5-sulfamoylbenzoic acid?
The InChIKey is WSKUVCOSFUDODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S/c13-21(18,19)9-1-2-11(10(5-9)12(16)17)14-3-4-20-8(6-14)7-15/h1-2,5,8,15H,3-4,6-7H2,(H,16,17)(H2,13,18,19).
What are the key properties of 2-[2-(hydroxymethyl)morpholin-4-yl]-5-sulfamoylbenzoic acid?
2-[2-(hydroxymethyl)morpholin-4-yl]-5-sulfamoylbenzoic acid has a molecular weight of 316.33 g/mol, XLogP of -0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)morpholin-4-yl]-5-sulfamoylbenzoic acid is sourced from PubChem (CID 81195386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).