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

C12H13ClFNO5S — CID 66434008

IUPAC2-[4-(3-chloro-2-fluorophenyl)sulfonylmorpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(S(=O)(=O)c2cccc(Cl)c2F)CCO1
InChIInChI=1S/C12H13ClFNO5S/c13-9-2-1-3-10(12(9)14)21(18,19)15-4-5-20-8(7-15)6-11(16)17/h1-3,8H,4-7H2,(H,16,17)
InChIKeyKBHOIGQFWXZFOO-UHFFFAOYSA-N
MW337.76 g/mol
LogP1.34
Rot. Bonds4

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

2-[4-(3-chloro-2-fluorophenyl)sulfonylmorpholin-2-yl]acetic acid (PubChem CID 66434008) has the molecular formula C12H13ClFNO5S and a molecular weight of 337.76 g/mol. Its IUPAC name is 2-[4-(3-chloro-2-fluorophenyl)sulfonylmorpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-chloro-2-fluorophenyl)sulfonylmorpholin-2-yl]acetic acid
PubChem CID66434008
Molecular FormulaC12H13ClFNO5S
Molecular Weight337.76 g/mol
Exact Mass337.02
IUPAC Name2-[4-(3-chloro-2-fluorophenyl)sulfonylmorpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(S(=O)(=O)c2cccc(Cl)c2F)CCO1
InChIInChI=1S/C12H13ClFNO5S/c13-9-2-1-3-10(12(9)14)21(18,19)15-4-5-20-8(7-15)6-11(16)17/h1-3,8H,4-7H2,(H,16,17)
InChIKeyKBHOIGQFWXZFOO-UHFFFAOYSA-N
XLogP1.34
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3-chloro-2-fluorophenyl)sulfonylmorpholin-2-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-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid
CID 66433238
[4-(2,3-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398436
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
1-(3-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 43361281
2-[[4-(3-chloro-2-methylphenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid
CID 122072081
2-[4-(5-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]acetic acid
CID 66433224
[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol
CID 43589685
(3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 94340393
2-[1-(3-chloro-2-fluorophenyl)sulfonylazetidin-3-yl]propanoic acid
CID 116681791
1-[1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263968
N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 68873987

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-2-fluorophenyl)sulfonylmorpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3-chloro-2-fluorophenyl)sulfonylmorpholin-2-yl]acetic acid (CID 66434008) is 2-[4-(3-chloro-2-fluorophenyl)sulfonylmorpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-chloro-2-fluorophenyl)sulfonylmorpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3-chloro-2-fluorophenyl)sulfonylmorpholin-2-yl]acetic acid is O=C(O)CC1CN(S(=O)(=O)c2cccc(Cl)c2F)CCO1.
What is the InChIKey of 2-[4-(3-chloro-2-fluorophenyl)sulfonylmorpholin-2-yl]acetic acid?
The InChIKey is KBHOIGQFWXZFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO5S/c13-9-2-1-3-10(12(9)14)21(18,19)15-4-5-20-8(7-15)6-11(16)17/h1-3,8H,4-7H2,(H,16,17).
What are the key properties of 2-[4-(3-chloro-2-fluorophenyl)sulfonylmorpholin-2-yl]acetic acid?
2-[4-(3-chloro-2-fluorophenyl)sulfonylmorpholin-2-yl]acetic acid has a molecular weight of 337.76 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-2-fluorophenyl)sulfonylmorpholin-2-yl]acetic acid is sourced from PubChem (CID 66434008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).