(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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Related Compounds

6-chloro-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 43502039
N-(1-aminobutan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 65194062
6-chloro-N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 43502382
N-(2-amino-1-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 65188670
6-chloro-2-oxo-N-[2-(propan-2-ylamino)ethyl]-1,3-dihydroindole-5-sulfonamide
CID 62663889
N-(2-bromoprop-2-enyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113465023
N-(2-amino-3-hydroxybutyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 64540623
N-(1-amino-2-methylpropan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 63194322
N-(2-amino-2-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 115301382
(2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 28831674
N-(3-amino-2,2-difluoropropyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 114384041
6-chloro-N-(3,4-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 44634854

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).