(2R)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid

C7H7Cl2NO5S2 — CID 80751470

IUPAC(2R)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid
SMILESO=C(O)[C@@H](CO)NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H7Cl2NO5S2/c8-5-1-4(6(9)16-5)17(14,15)10-3(2-11)7(12)13/h1,3,10-11H,2H2,(H,12,13)/t3-/m1/s1
InChIKeySWOMZWJEZDCSOP-GSVOUGTGSA-N
MW320.18 g/mol
LogP0.78
Rot. Bonds5

About (2R)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid

(2R)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid (PubChem CID 80751470) has the molecular formula C7H7Cl2NO5S2 and a molecular weight of 320.18 g/mol. Its IUPAC name is (2R)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid
PubChem CID80751470
Molecular FormulaC7H7Cl2NO5S2
Molecular Weight320.18 g/mol
Exact Mass318.91
IUPAC Name(2R)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid
SMILESO=C(O)[C@@H](CO)NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H7Cl2NO5S2/c8-5-1-4(6(9)16-5)17(14,15)10-3(2-11)7(12)13/h1,3,10-11H,2H2,(H,12,13)/t3-/m1/s1
InChIKeySWOMZWJEZDCSOP-GSVOUGTGSA-N
XLogP0.78
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid
CID 61137324
(2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751001
2,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-sulfonamide
CID 61247523
(2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 28831674
2,5-dichloro-N-(3-oxopentan-2-yl)thiophene-3-sulfonamide
CID 64993790
methyl 3-benzylsulfanyl-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]propanoate
CID 3678182
(2S)-2-[(2-bromo-5-methoxycarbonylthiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 61142027
(2S)-2-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 103087572
(2R)-2-[(2,4-dimethylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 28831660
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylbutanoic acid
CID 64701142
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
(2R)-3-hydroxy-2-[(2-methylphenyl)sulfonylamino]propanoic acid
CID 80750989

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid (CID 80751470) is (2R)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid is O=C(O)[C@@H](CO)NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of (2R)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid?
The InChIKey is SWOMZWJEZDCSOP-GSVOUGTGSA-N. The full InChI is InChI=1S/C7H7Cl2NO5S2/c8-5-1-4(6(9)16-5)17(14,15)10-3(2-11)7(12)13/h1,3,10-11H,2H2,(H,12,13)/t3-/m1/s1.
What are the key properties of (2R)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid?
(2R)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid has a molecular weight of 320.18 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80751470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).