2-oxo-1,3-dihydroindole-5-sulfonyl chloride

C8H6ClNO3S — CID 4962506

IUPAC2-oxo-1,3-dihydroindole-5-sulfonyl chloride
SMILESO=C1Cc2cc(S(=O)(=O)Cl)ccc2N1
InChIInChI=1S/C8H6ClNO3S/c9-14(12,13)6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
InChIKeyFYBNVKMJOOYPGI-UHFFFAOYSA-N
MW231.66 g/mol
LogP1.11
Rot. Bonds1

About 2-oxo-1,3-dihydroindole-5-sulfonyl chloride

2-oxo-1,3-dihydroindole-5-sulfonyl chloride (PubChem CID 4962506) has the molecular formula C8H6ClNO3S and a molecular weight of 231.66 g/mol. Its IUPAC name is 2-oxo-1,3-dihydroindole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-oxo-1,3-dihydroindole-5-sulfonyl chloride
PubChem CID4962506
Molecular FormulaC8H6ClNO3S
Molecular Weight231.66 g/mol
Exact Mass230.98
IUPAC Name2-oxo-1,3-dihydroindole-5-sulfonyl chloride
SMILESO=C1Cc2cc(S(=O)(=O)Cl)ccc2N1
InChIInChI=1S/C8H6ClNO3S/c9-14(12,13)6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
InChIKeyFYBNVKMJOOYPGI-UHFFFAOYSA-N
XLogP1.11
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.66
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-1,3-dihydroindole-5-sulfonyl fluoride
CID 82284625
N-methoxy-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 60664960
N-(3,4-dichlorophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9055840
5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one
CID 116855261
5-(1-phenylethylsulfonyl)-1,3-dihydroindol-2-one
CID 18179950
5-[(3-chlorophenyl)methylsulfonyl]-1,3-dihydroindol-2-one
CID 18179822
N-(4-amino-3,5-dichlorophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 8822885
N-cyclopentyl-N-cyclopropyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110872943
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 43597390
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one
CID 110867929
5-[(3S)-pyrrolidin-3-yl]sulfonyl-1,3-dihydroindol-2-one
CID 129388520
N-cycloheptyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 20858702

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,3-dihydroindole-5-sulfonyl chloride?
The IUPAC name of 2-oxo-1,3-dihydroindole-5-sulfonyl chloride (CID 4962506) is 2-oxo-1,3-dihydroindole-5-sulfonyl chloride.
What is the SMILES notation for 2-oxo-1,3-dihydroindole-5-sulfonyl chloride?
The canonical SMILES for 2-oxo-1,3-dihydroindole-5-sulfonyl chloride is O=C1Cc2cc(S(=O)(=O)Cl)ccc2N1.
What is the InChIKey of 2-oxo-1,3-dihydroindole-5-sulfonyl chloride?
The InChIKey is FYBNVKMJOOYPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO3S/c9-14(12,13)6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11).
What are the key properties of 2-oxo-1,3-dihydroindole-5-sulfonyl chloride?
2-oxo-1,3-dihydroindole-5-sulfonyl chloride has a molecular weight of 231.66 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3-dihydroindole-5-sulfonyl chloride is sourced from PubChem (CID 4962506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).