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

C12H14ClNO5S — CID 66433238

IUPAC2-[4-(3-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(S(=O)(=O)c2cccc(Cl)c2)CCO1
InChIInChI=1S/C12H14ClNO5S/c13-9-2-1-3-11(6-9)20(17,18)14-4-5-19-10(8-14)7-12(15)16/h1-3,6,10H,4-5,7-8H2,(H,15,16)
InChIKeyFXROWSZFRPXZKR-UHFFFAOYSA-N
MW319.77 g/mol
LogP1.20
Rot. Bonds4

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

2-[4-(3-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid (PubChem CID 66433238) has the molecular formula C12H14ClNO5S and a molecular weight of 319.77 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid
PubChem CID66433238
Molecular FormulaC12H14ClNO5S
Molecular Weight319.77 g/mol
Exact Mass319.03
IUPAC Name2-[4-(3-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(S(=O)(=O)c2cccc(Cl)c2)CCO1
InChIInChI=1S/C12H14ClNO5S/c13-9-2-1-3-11(6-9)20(17,18)14-4-5-19-10(8-14)7-12(15)16/h1-3,6,10H,4-5,7-8H2,(H,15,16)
InChIKeyFXROWSZFRPXZKR-UHFFFAOYSA-N
XLogP1.20
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,4-difluorophenyl)sulfonylmorpholin-2-yl]acetic acid
CID 66433225
2-[4-(3-bromo-4-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid
CID 106605509
(2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine
CID 51696505
2-[4-(3-chloro-2-fluorophenyl)sulfonylmorpholin-2-yl]acetic acid
CID 66434008
4-(3-chlorophenyl)sulfonylmorpholine-2-carbothioamide
CID 79675206
methyl 2-[4-(3-methylphenyl)sulfonylmorpholin-2-yl]acetate
CID 79764305
2-(2-chlorophenyl)-4-(3-chlorophenyl)sulfonylmorpholine
CID 110326938
methyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate
CID 79771144
1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030624
3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylbenzoic acid
CID 110416888
2-[4-(5-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]acetic acid
CID 66433224
[4-(3,5-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398478

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid (CID 66433238) is 2-[4-(3-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid is O=C(O)CC1CN(S(=O)(=O)c2cccc(Cl)c2)CCO1.
What is the InChIKey of 2-[4-(3-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid?
The InChIKey is FXROWSZFRPXZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO5S/c13-9-2-1-3-11(6-9)20(17,18)14-4-5-19-10(8-14)7-12(15)16/h1-3,6,10H,4-5,7-8H2,(H,15,16).
What are the key properties of 2-[4-(3-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid?
2-[4-(3-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid has a molecular weight of 319.77 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid is sourced from PubChem (CID 66433238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).