(2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxy-2-methylpropanoic acid

C8H10ClNO5S2 — CID 141415786

IUPAC(2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxy-2-methylpropanoic acid
SMILESC[C@@](CO)(NS(=O)(=O)c1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C8H10ClNO5S2/c1-8(4-11,7(12)13)10-17(14,15)6-3-2-5(9)16-6/h2-3,10-11H,4H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyBSRICBGMJYPVAB-QMMMGPOBSA-N
MW299.76 g/mol
LogP0.52
Rot. Bonds5

About (2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxy-2-methylpropanoic acid

(2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxy-2-methylpropanoic acid (PubChem CID 141415786) has the molecular formula C8H10ClNO5S2 and a molecular weight of 299.76 g/mol. Its IUPAC name is (2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxy-2-methylpropanoic acid
PubChem CID141415786
Molecular FormulaC8H10ClNO5S2
Molecular Weight299.76 g/mol
Exact Mass298.97
IUPAC Name(2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxy-2-methylpropanoic acid
SMILESC[C@@](CO)(NS(=O)(=O)c1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C8H10ClNO5S2/c1-8(4-11,7(12)13)10-17(14,15)6-3-2-5(9)16-6/h2-3,10-11H,4H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyBSRICBGMJYPVAB-QMMMGPOBSA-N
XLogP0.52
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxy-2-methylpropanoic acid?
The IUPAC name of (2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxy-2-methylpropanoic acid (CID 141415786) is (2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for (2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxy-2-methylpropanoic acid?
The canonical SMILES for (2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxy-2-methylpropanoic acid is C[C@@](CO)(NS(=O)(=O)c1ccc(Cl)s1)C(=O)O.
What is the InChIKey of (2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxy-2-methylpropanoic acid?
The InChIKey is BSRICBGMJYPVAB-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H10ClNO5S2/c1-8(4-11,7(12)13)10-17(14,15)6-3-2-5(9)16-6/h2-3,10-11H,4H2,1H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxy-2-methylpropanoic acid?
(2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxy-2-methylpropanoic acid has a molecular weight of 299.76 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 141415786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).