3-[4-[(4-morpholin-4-ylphenyl)sulfamoyl]phenyl]propanoic acid

C19H22N2O5S — CID 8003799

IUPAC3-[4-[(4-morpholin-4-ylphenyl)sulfamoyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c22-19(23)10-3-15-1-8-18(9-2-15)27(24,25)20-16-4-6-17(7-5-16)21-11-13-26-14-12-21/h1-2,4-9,20H,3,10-14H2,(H,22,23)
InChIKeyRZWALIGRJKNUAB-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.34
Rot. Bonds7

About 3-[4-[(4-morpholin-4-ylphenyl)sulfamoyl]phenyl]propanoic acid

3-[4-[(4-morpholin-4-ylphenyl)sulfamoyl]phenyl]propanoic acid (PubChem CID 8003799) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 3-[4-[(4-morpholin-4-ylphenyl)sulfamoyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(4-morpholin-4-ylphenyl)sulfamoyl]phenyl]propanoic acid
PubChem CID8003799
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name3-[4-[(4-morpholin-4-ylphenyl)sulfamoyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c22-19(23)10-3-15-1-8-18(9-2-15)27(24,25)20-16-4-6-17(7-5-16)21-11-13-26-14-12-21/h1-2,4-9,20H,3,10-14H2,(H,22,23)
InChIKeyRZWALIGRJKNUAB-UHFFFAOYSA-N
XLogP2.34
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide
CID 3812810
3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid
CID 17341594
4-morpholin-4-yl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 21173992
3-[4-[(4-methylsulfanylphenyl)sulfamoyl]phenyl]propanoic acid
CID 8860708
3-[4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid
CID 24580865
3-[4-(pyrrolidin-1-ylsulfonylamino)phenyl]propanoic acid
CID 115339542
3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]propanoic acid
CID 9234830
N-[4-(azepan-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 25358932
3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 3856880
3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid
CID 9234966
1-[4-[(4-morpholin-4-ylphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 56928237
3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 46521495

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-morpholin-4-ylphenyl)sulfamoyl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(4-morpholin-4-ylphenyl)sulfamoyl]phenyl]propanoic acid (CID 8003799) is 3-[4-[(4-morpholin-4-ylphenyl)sulfamoyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(4-morpholin-4-ylphenyl)sulfamoyl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(4-morpholin-4-ylphenyl)sulfamoyl]phenyl]propanoic acid is O=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 3-[4-[(4-morpholin-4-ylphenyl)sulfamoyl]phenyl]propanoic acid?
The InChIKey is RZWALIGRJKNUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c22-19(23)10-3-15-1-8-18(9-2-15)27(24,25)20-16-4-6-17(7-5-16)21-11-13-26-14-12-21/h1-2,4-9,20H,3,10-14H2,(H,22,23).
What are the key properties of 3-[4-[(4-morpholin-4-ylphenyl)sulfamoyl]phenyl]propanoic acid?
3-[4-[(4-morpholin-4-ylphenyl)sulfamoyl]phenyl]propanoic acid has a molecular weight of 390.46 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-morpholin-4-ylphenyl)sulfamoyl]phenyl]propanoic acid is sourced from PubChem (CID 8003799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).