3,4-dimethyl-5-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid

C19H22N2O5S — CID 4806596

IUPAC3,4-dimethyl-5-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
SMILESCc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccccc2N2CCOCC2)c1C
InChIInChI=1S/C19H22N2O5S/c1-13-11-15(19(22)23)12-18(14(13)2)27(24,25)20-16-5-3-4-6-17(16)21-7-9-26-10-8-21/h3-6,11-12,20H,7-10H2,1-2H3,(H,22,23)
InChIKeyPZSGLASIXSIXIO-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.64
Rot. Bonds5

About 3,4-dimethyl-5-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid

3,4-dimethyl-5-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid (PubChem CID 4806596) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 3,4-dimethyl-5-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3,4-dimethyl-5-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
PubChem CID4806596
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name3,4-dimethyl-5-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
SMILESCc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccccc2N2CCOCC2)c1C
InChIInChI=1S/C19H22N2O5S/c1-13-11-15(19(22)23)12-18(14(13)2)27(24,25)20-16-5-3-4-6-17(16)21-7-9-26-10-8-21/h3-6,11-12,20H,7-10H2,1-2H3,(H,22,23)
InChIKeyPZSGLASIXSIXIO-UHFFFAOYSA-N
XLogP2.64
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 4806611
3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 50767039
3-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 805440
N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 4794707
3,5-difluoro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
CID 17442409
4-[2-(sulfamoylamino)phenyl]morpholine
CID 112573552
3,4-dimethyl-5-[(2-propoxyphenyl)sulfamoyl]benzoic acid
CID 9238408
3,4-dimethyl-5-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]sulfamoyl]benzoic acid
CID 51515581
lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide
CID 159941307
sodium N-(2-morpholin-4-ylphenyl)sulfamate
CID 174221479
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2444334
3,4-dimethyl-5-[[2-(1-phenylethylcarbamoyl)phenyl]sulfamoyl]benzoic acid
CID 24671753

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 3,4-dimethyl-5-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid (CID 4806596) is 3,4-dimethyl-5-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3,4-dimethyl-5-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3,4-dimethyl-5-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid is Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccccc2N2CCOCC2)c1C.
What is the InChIKey of 3,4-dimethyl-5-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid?
The InChIKey is PZSGLASIXSIXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-13-11-15(19(22)23)12-18(14(13)2)27(24,25)20-16-5-3-4-6-17(16)21-7-9-26-10-8-21/h3-6,11-12,20H,7-10H2,1-2H3,(H,22,23).
What are the key properties of 3,4-dimethyl-5-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid?
3,4-dimethyl-5-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid has a molecular weight of 390.46 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 4806596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).