methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate

C8H10ClNO5S2 — CID 43405378

IUPACmethyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H10ClNO5S2/c1-15-8(12)5(4-11)10-17(13,14)7-3-2-6(9)16-7/h2-3,5,10-11H,4H2,1H3
InChIKeyGQASEXHFMMMCHS-UHFFFAOYSA-N
MW299.76 g/mol
LogP0.21
Rot. Bonds5

About methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate

methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate (PubChem CID 43405378) has the molecular formula C8H10ClNO5S2 and a molecular weight of 299.76 g/mol. Its IUPAC name is methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate
PubChem CID43405378
Molecular FormulaC8H10ClNO5S2
Molecular Weight299.76 g/mol
Exact Mass298.97
IUPAC Namemethyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H10ClNO5S2/c1-15-8(12)5(4-11)10-17(13,14)7-3-2-6(9)16-7/h2-3,5,10-11H,4H2,1H3
InChIKeyGQASEXHFMMMCHS-UHFFFAOYSA-N
XLogP0.21
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751001
methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-4,4,4-trifluoro-3-(trifluoromethyl)butanoate
CID 87451510
2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide
CID 78786909
methyl 2-[[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]amino]-4-methylpentanoate
CID 3513146
2-[(5-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid
CID 60640830
(2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 61144815
5-chloro-N-[1-hydroxy-3-(4-methoxyphenyl)butan-2-yl]thiophene-2-sulfonamide
CID 22500888
methyl 2-[(2-chloropyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate
CID 61051901
5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide
CID 68540037
3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxypropanamide
CID 107258327
methyl 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxypropanoate
CID 43624311
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-3-methylbutanimidamide
CID 77038493

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate (CID 43405378) is methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate is COC(=O)C(CO)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate?
The InChIKey is GQASEXHFMMMCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO5S2/c1-15-8(12)5(4-11)10-17(13,14)7-3-2-6(9)16-7/h2-3,5,10-11H,4H2,1H3.
What are the key properties of methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate?
methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate has a molecular weight of 299.76 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate is sourced from PubChem (CID 43405378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).