2-[[5-chloro-2-(oxan-2-ylmethoxy)phenyl]sulfonylamino]propanoic acid

C15H20ClNO6S — CID 122068155

IUPAC2-[[5-chloro-2-(oxan-2-ylmethoxy)phenyl]sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1cc(Cl)ccc1OCC1CCCCO1)C(=O)O
InChIInChI=1S/C15H20ClNO6S/c1-10(15(18)19)17-24(20,21)14-8-11(16)5-6-13(14)23-9-12-4-2-3-7-22-12/h5-6,8,10,12,17H,2-4,7,9H2,1H3,(H,18,19)
InChIKeyFPPFUYVXVSTPKV-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.04
Rot. Bonds7

About 2-[[5-chloro-2-(oxan-2-ylmethoxy)phenyl]sulfonylamino]propanoic acid

2-[[5-chloro-2-(oxan-2-ylmethoxy)phenyl]sulfonylamino]propanoic acid (PubChem CID 122068155) has the molecular formula C15H20ClNO6S and a molecular weight of 377.85 g/mol. Its IUPAC name is 2-[[5-chloro-2-(oxan-2-ylmethoxy)phenyl]sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-[[5-chloro-2-(oxan-2-ylmethoxy)phenyl]sulfonylamino]propanoic acid
PubChem CID122068155
Molecular FormulaC15H20ClNO6S
Molecular Weight377.85 g/mol
Exact Mass377.07
IUPAC Name2-[[5-chloro-2-(oxan-2-ylmethoxy)phenyl]sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1cc(Cl)ccc1OCC1CCCCO1)C(=O)O
InChIInChI=1S/C15H20ClNO6S/c1-10(15(18)19)17-24(20,21)14-8-11(16)5-6-13(14)23-9-12-4-2-3-7-22-12/h5-6,8,10,12,17H,2-4,7,9H2,1H3,(H,18,19)
InChIKeyFPPFUYVXVSTPKV-UHFFFAOYSA-N
XLogP2.04
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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[(2S)-oxolan-2-yl]methyl 2-(2,5-dichlorophenyl)sulfonyloxypropanoate
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(1S)-1-[3-chloro-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 113389965
1-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
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4-chloro-2-(oxan-2-ylmethoxy)aniline
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1-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-hydroxyethyl)urea
CID 95265922
2-[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976807
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(oxan-2-ylmethoxy)phenyl]sulfonylamino]propanoic acid?
The IUPAC name of 2-[[5-chloro-2-(oxan-2-ylmethoxy)phenyl]sulfonylamino]propanoic acid (CID 122068155) is 2-[[5-chloro-2-(oxan-2-ylmethoxy)phenyl]sulfonylamino]propanoic acid.
What is the SMILES notation for 2-[[5-chloro-2-(oxan-2-ylmethoxy)phenyl]sulfonylamino]propanoic acid?
The canonical SMILES for 2-[[5-chloro-2-(oxan-2-ylmethoxy)phenyl]sulfonylamino]propanoic acid is CC(NS(=O)(=O)c1cc(Cl)ccc1OCC1CCCCO1)C(=O)O.
What is the InChIKey of 2-[[5-chloro-2-(oxan-2-ylmethoxy)phenyl]sulfonylamino]propanoic acid?
The InChIKey is FPPFUYVXVSTPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO6S/c1-10(15(18)19)17-24(20,21)14-8-11(16)5-6-13(14)23-9-12-4-2-3-7-22-12/h5-6,8,10,12,17H,2-4,7,9H2,1H3,(H,18,19).
What are the key properties of 2-[[5-chloro-2-(oxan-2-ylmethoxy)phenyl]sulfonylamino]propanoic acid?
2-[[5-chloro-2-(oxan-2-ylmethoxy)phenyl]sulfonylamino]propanoic acid has a molecular weight of 377.85 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(oxan-2-ylmethoxy)phenyl]sulfonylamino]propanoic acid is sourced from PubChem (CID 122068155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).