6-chloro-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one

C13H15ClN2O4S — CID 43502850

IUPAC6-chloro-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)N3CCC(O)CC3)c(Cl)cc2N1
InChIInChI=1S/C13H15ClN2O4S/c14-10-7-11-8(6-13(18)15-11)5-12(10)21(19,20)16-3-1-9(17)2-4-16/h5,7,9,17H,1-4,6H2,(H,15,18)
InChIKeyVJQPLOCBRCQHFW-UHFFFAOYSA-N
MW330.79 g/mol
LogP0.98
Rot. Bonds2

About 6-chloro-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one

6-chloro-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one (PubChem CID 43502850) has the molecular formula C13H15ClN2O4S and a molecular weight of 330.79 g/mol. Its IUPAC name is 6-chloro-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one
PubChem CID43502850
Molecular FormulaC13H15ClN2O4S
Molecular Weight330.79 g/mol
Exact Mass330.04
IUPAC Name6-chloro-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)N3CCC(O)CC3)c(Cl)cc2N1
InChIInChI=1S/C13H15ClN2O4S/c14-10-7-11-8(6-13(18)15-11)5-12(10)21(19,20)16-3-1-9(17)2-4-16/h5,7,9,17H,1-4,6H2,(H,15,18)
InChIKeyVJQPLOCBRCQHFW-UHFFFAOYSA-N
XLogP0.98
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-[(3S)-3-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 104976462
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 66291252
6-chloro-2-oxo-N-[(3S)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide
CID 104982613
6-bromo-5-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 83231272
6-chloro-2-oxo-N-[(3R)-pyrrolidin-3-yl]-1,3-dihydroindole-5-sulfonamide
CID 79684934
6-chloro-5-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydroindol-2-one
CID 60540045
6-chloro-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 43502039
N-(2-bromoprop-2-enyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113465023
1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-ol
CID 23853542
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol
CID 43502793
N-(2-amino-1-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 65188670
N-(2-amino-2-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 115301382

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one (CID 43502850) is 6-chloro-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one is O=C1Cc2cc(S(=O)(=O)N3CCC(O)CC3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The InChIKey is VJQPLOCBRCQHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4S/c14-10-7-11-8(6-13(18)15-11)5-12(10)21(19,20)16-3-1-9(17)2-4-16/h5,7,9,17H,1-4,6H2,(H,15,18).
What are the key properties of 6-chloro-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
6-chloro-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one has a molecular weight of 330.79 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43502850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).