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

C17H18N2O5S — CID 2386105

IUPAC3-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C17H18N2O5S/c20-17(21)13-4-3-5-14(12-13)25(22,23)18-15-6-1-2-7-16(15)19-8-10-24-11-9-19/h1-7,12,18H,8-11H2,(H,20,21)
InChIKeyHHLDCIKMGSVNKQ-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.02
Rot. Bonds5

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

3-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid (PubChem CID 2386105) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
PubChem CID2386105
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name3-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C17H18N2O5S/c20-17(21)13-4-3-5-14(12-13)25(22,23)18-15-6-1-2-7-16(15)19-8-10-24-11-9-19/h1-7,12,18H,8-11H2,(H,20,21)
InChIKeyHHLDCIKMGSVNKQ-UHFFFAOYSA-N
XLogP2.02
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid
CID 2433199
3-(1,2,3,4-Tetrahydroquinoline-1-sulfonyl)benzoic acid
CID 2315499
3-(Allyl-Phenyl-Sulfamoyl)-Benzoic Acid
CID 2386003
3-[Benzyl(phenyl)sulfamoyl]benzoic acid
CID 2389222
3-[Butyl(phenyl)sulfamoyl]benzoic acid
CID 2329095
5-(Dimethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid
CID 2512653
3-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]benzoic Acid
CID 7996340
5-(benzenesulfonamido)-2-(2,6-dimethylmorpholin-4-yl)benzoic Acid
CID 2804700
2-{[2-Methyl-5-(4-morpholinylsulfonyl)benzoyl]amino}benzoic acid
CID 1251752
5-(Diethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid
CID 2577517
3-(Ethyl(phenyl)sulfamoyl)benzoic acid
CID 2329208
2-(Morpholin-4-yl)-5-(morpholine-4-sulfonyl)benzoic acid
CID 4961661

Frequently Asked Questions

What is the IUPAC name of 3-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid (CID 2386105) is 3-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid is O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2N2CCOCC2)c1.
What is the InChIKey of 3-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid?
The InChIKey is HHLDCIKMGSVNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c20-17(21)13-4-3-5-14(12-13)25(22,23)18-15-6-1-2-7-16(15)19-8-10-24-11-9-19/h1-7,12,18H,8-11H2,(H,20,21).
What are the key properties of 3-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid?
3-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid has a molecular weight of 362.41 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2386105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).