5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydroindol-2-one

C16H13ClN2O3S — CID 21071905

IUPAC5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)N3CCc4c(Cl)cccc43)ccc2N1
InChIInChI=1S/C16H13ClN2O3S/c17-13-2-1-3-15-12(13)6-7-19(15)23(21,22)11-4-5-14-10(8-11)9-16(20)18-14/h1-5,8H,6-7,9H2,(H,18,20)
InChIKeyREQASQKTMBSXGR-UHFFFAOYSA-N
MW348.81 g/mol
LogP2.59
Rot. Bonds2

About 5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydroindol-2-one

5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydroindol-2-one (PubChem CID 21071905) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is 5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydroindol-2-one
PubChem CID21071905
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC Name5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)N3CCc4c(Cl)cccc43)ccc2N1
InChIInChI=1S/C16H13ClN2O3S/c17-13-2-1-3-15-12(13)6-7-19(15)23(21,22)11-4-5-14-10(8-11)9-16(20)18-14/h1-5,8H,6-7,9H2,(H,18,20)
InChIKeyREQASQKTMBSXGR-UHFFFAOYSA-N
XLogP2.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one
CID 126795705
5-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one
CID 110636453
5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 113076621
5-[2-(2-chlorophenyl)morpholin-4-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110326932
2-oxo-1,3-dihydroindole-5-sulfonyl chloride
CID 4962506
2-oxo-1,3-dihydroindole-5-sulfonyl fluoride
CID 82284625
5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 113075154
5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one
CID 9184637
5-[(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one
CID 110663091
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one
CID 110867929
5-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110805342
5-[(3-chlorophenyl)methylsulfonyl]-1,3-dihydroindol-2-one
CID 18179822

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydroindol-2-one (CID 21071905) is 5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(S(=O)(=O)N3CCc4c(Cl)cccc43)ccc2N1.
What is the InChIKey of 5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydroindol-2-one?
The InChIKey is REQASQKTMBSXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c17-13-2-1-3-15-12(13)6-7-19(15)23(21,22)11-4-5-14-10(8-11)9-16(20)18-14/h1-5,8H,6-7,9H2,(H,18,20).
What are the key properties of 5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydroindol-2-one?
5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydroindol-2-one has a molecular weight of 348.81 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 21071905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).