2-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]acetic acid

C14H19NO5S — CID 43612964

IUPAC2-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]acetic acid
SMILESCCC1COCCN1S(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H19NO5S/c1-2-12-10-20-8-7-15(12)21(18,19)13-5-3-11(4-6-13)9-14(16)17/h3-6,12H,2,7-10H2,1H3,(H,16,17)
InChIKeyFJVZJKFCDYYVKV-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.11
Rot. Bonds5

About 2-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]acetic acid

2-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]acetic acid (PubChem CID 43612964) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]acetic acid
PubChem CID43612964
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name2-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]acetic acid
SMILESCCC1COCCN1S(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H19NO5S/c1-2-12-10-20-8-7-15(12)21(18,19)13-5-3-11(4-6-13)9-14(16)17/h3-6,12H,2,7-10H2,1H3,(H,16,17)
InChIKeyFJVZJKFCDYYVKV-UHFFFAOYSA-N
XLogP1.11
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43542002
4-[4-(bromomethyl)phenyl]sulfonyl-3-ethylmorpholine
CID 65480190
4-[4-(2-chloroethyl)phenyl]sulfonyl-3-ethylmorpholine
CID 43662640
2-bromo-5-(3-ethylmorpholin-4-yl)sulfonylbenzoic acid
CID 43612960
3-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 60823840
2-[4-(4-phenylphenyl)sulfonylmorpholin-3-yl]acetic acid
CID 56882504
3-(3-ethylmorpholin-4-yl)sulfonyl-2-methylbenzoic acid
CID 63743985
2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43544549
1-[3-(3-ethylmorpholin-4-yl)sulfonylphenyl]propan-1-ol
CID 60874201
5-(3-ethylmorpholin-4-yl)sulfonyl-3-methylthiophene-2-carboxylic acid
CID 43612947
5-bromo-4-(3-ethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
CID 43612982
4-(3-ethylmorpholin-4-yl)sulfonyl-N-(4-methoxy-3-methylphenyl)benzamide
CID 155180650

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]acetic acid?
The IUPAC name of 2-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]acetic acid (CID 43612964) is 2-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]acetic acid.
What is the SMILES notation for 2-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]acetic acid?
The canonical SMILES for 2-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]acetic acid is CCC1COCCN1S(=O)(=O)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]acetic acid?
The InChIKey is FJVZJKFCDYYVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-2-12-10-20-8-7-15(12)21(18,19)13-5-3-11(4-6-13)9-14(16)17/h3-6,12H,2,7-10H2,1H3,(H,16,17).
What are the key properties of 2-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]acetic acid?
2-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]acetic acid has a molecular weight of 313.38 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]acetic acid is sourced from PubChem (CID 43612964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).