(2R)-2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-3-hydroxypropanoic acid

C11H11ClN2O6S — CID 80755907

IUPAC(2R)-2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-3-hydroxypropanoic acid
SMILESO=C1Cc2cc(S(=O)(=O)N[C@H](CO)C(=O)O)c(Cl)cc2N1
InChIInChI=1S/C11H11ClN2O6S/c12-6-3-7-5(2-10(16)13-7)1-9(6)21(19,20)14-8(4-15)11(17)18/h1,3,8,14-15H,2,4H2,(H,13,16)(H,17,18)/t8-/m1/s1
InChIKeyHUOALVQUXNRYFM-MRVPVSSYSA-N
MW334.74 g/mol
LogP-0.44
Rot. Bonds5

About (2R)-2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-3-hydroxypropanoic acid

(2R)-2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-3-hydroxypropanoic acid (PubChem CID 80755907) has the molecular formula C11H11ClN2O6S and a molecular weight of 334.74 g/mol. Its IUPAC name is (2R)-2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-3-hydroxypropanoic acid
PubChem CID80755907
Molecular FormulaC11H11ClN2O6S
Molecular Weight334.74 g/mol
Exact Mass334.00
IUPAC Name(2R)-2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-3-hydroxypropanoic acid
SMILESO=C1Cc2cc(S(=O)(=O)N[C@H](CO)C(=O)O)c(Cl)cc2N1
InChIInChI=1S/C11H11ClN2O6S/c12-6-3-7-5(2-10(16)13-7)1-9(6)21(19,20)14-8(4-15)11(17)18/h1,3,8,14-15H,2,4H2,(H,13,16)(H,17,18)/t8-/m1/s1
InChIKeyHUOALVQUXNRYFM-MRVPVSSYSA-N
XLogP-0.44
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.74
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-3-hydroxypropanoic acid (CID 80755907) is (2R)-2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-3-hydroxypropanoic acid is O=C1Cc2cc(S(=O)(=O)N[C@H](CO)C(=O)O)c(Cl)cc2N1.
What is the InChIKey of (2R)-2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-3-hydroxypropanoic acid?
The InChIKey is HUOALVQUXNRYFM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11ClN2O6S/c12-6-3-7-5(2-10(16)13-7)1-9(6)21(19,20)14-8(4-15)11(17)18/h1,3,8,14-15H,2,4H2,(H,13,16)(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-3-hydroxypropanoic acid?
(2R)-2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-3-hydroxypropanoic acid has a molecular weight of 334.74 g/mol, XLogP of -0.44, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80755907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).