2-[4-(4-phenylphenyl)sulfonylmorpholin-3-yl]acetic acid

C18H19NO5S — CID 56882504

IUPAC2-[4-(4-phenylphenyl)sulfonylmorpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO5S/c20-18(21)12-16-13-24-11-10-19(16)25(22,23)17-8-6-15(7-9-17)14-4-2-1-3-5-14/h1-9,16H,10-13H2,(H,20,21)
InChIKeyKSHBTVROTPRWLN-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.22
Rot. Bonds5

About 2-[4-(4-phenylphenyl)sulfonylmorpholin-3-yl]acetic acid

2-[4-(4-phenylphenyl)sulfonylmorpholin-3-yl]acetic acid (PubChem CID 56882504) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-[4-(4-phenylphenyl)sulfonylmorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-phenylphenyl)sulfonylmorpholin-3-yl]acetic acid
PubChem CID56882504
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Name2-[4-(4-phenylphenyl)sulfonylmorpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO5S/c20-18(21)12-16-13-24-11-10-19(16)25(22,23)17-8-6-15(7-9-17)14-4-2-1-3-5-14/h1-9,16H,10-13H2,(H,20,21)
InChIKeyKSHBTVROTPRWLN-UHFFFAOYSA-N
XLogP2.22
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-phenylphenyl)sulfonylmorpholin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43612964
4-(4-fluorophenyl)sulfonyl-3-(2-phenylethyl)morpholine
CID 155269127
(3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine
CID 102484859
2-[4-(2,5-dimethylthiophen-3-yl)sulfonylmorpholin-3-yl]acetic acid
CID 56903162
2-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43542002
4-[4-(bromomethyl)phenyl]sulfonyl-3-ethylmorpholine
CID 65480190
2-bromo-5-(3-ethylmorpholin-4-yl)sulfonylbenzoic acid
CID 43612960
2-[(3R)-4-(1-ethylpyrazol-4-yl)sulfonylmorpholin-3-yl]-N-phenylacetamide
CID 95867516
4-(4-methylphenyl)sulfonyl-3-[(E)-2-phenylethenyl]morpholine
CID 162411653
3-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 60823840
1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 23381612
2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid
CID 117009339

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-phenylphenyl)sulfonylmorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(4-phenylphenyl)sulfonylmorpholin-3-yl]acetic acid (CID 56882504) is 2-[4-(4-phenylphenyl)sulfonylmorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-phenylphenyl)sulfonylmorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(4-phenylphenyl)sulfonylmorpholin-3-yl]acetic acid is O=C(O)CC1COCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[4-(4-phenylphenyl)sulfonylmorpholin-3-yl]acetic acid?
The InChIKey is KSHBTVROTPRWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c20-18(21)12-16-13-24-11-10-19(16)25(22,23)17-8-6-15(7-9-17)14-4-2-1-3-5-14/h1-9,16H,10-13H2,(H,20,21).
What are the key properties of 2-[4-(4-phenylphenyl)sulfonylmorpholin-3-yl]acetic acid?
2-[4-(4-phenylphenyl)sulfonylmorpholin-3-yl]acetic acid has a molecular weight of 361.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-phenylphenyl)sulfonylmorpholin-3-yl]acetic acid is sourced from PubChem (CID 56882504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).