1-(4-bromophenyl)sulfonyl-2H-indol-3-one

C14H10BrNO3S — CID 102600373

IUPAC1-(4-bromophenyl)sulfonyl-2H-indol-3-one
SMILESO=C1CN(S(=O)(=O)c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C14H10BrNO3S/c15-10-5-7-11(8-6-10)20(18,19)16-9-14(17)12-3-1-2-4-13(12)16/h1-8H,9H2
InChIKeyPHEVVEZJDINRHZ-UHFFFAOYSA-N
MW352.21 g/mol
LogP2.84
Rot. Bonds2

About 1-(4-bromophenyl)sulfonyl-2H-indol-3-one

1-(4-bromophenyl)sulfonyl-2H-indol-3-one (PubChem CID 102600373) has the molecular formula C14H10BrNO3S and a molecular weight of 352.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-2H-indol-3-one.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-2H-indol-3-one
PubChem CID102600373
Molecular FormulaC14H10BrNO3S
Molecular Weight352.21 g/mol
Exact Mass350.96
IUPAC Name1-(4-bromophenyl)sulfonyl-2H-indol-3-one
SMILESO=C1CN(S(=O)(=O)c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C14H10BrNO3S/c15-10-5-7-11(8-6-10)20(18,19)16-9-14(17)12-3-1-2-4-13(12)16/h1-8H,9H2
InChIKeyPHEVVEZJDINRHZ-UHFFFAOYSA-N
XLogP2.84
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-2H-indol-3-one?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-2H-indol-3-one (CID 102600373) is 1-(4-bromophenyl)sulfonyl-2H-indol-3-one.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-2H-indol-3-one?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-2H-indol-3-one is O=C1CN(S(=O)(=O)c2ccc(Br)cc2)c2ccccc21.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-2H-indol-3-one?
The InChIKey is PHEVVEZJDINRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO3S/c15-10-5-7-11(8-6-10)20(18,19)16-9-14(17)12-3-1-2-4-13(12)16/h1-8H,9H2.
What are the key properties of 1-(4-bromophenyl)sulfonyl-2H-indol-3-one?
1-(4-bromophenyl)sulfonyl-2H-indol-3-one has a molecular weight of 352.21 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-2H-indol-3-one is sourced from PubChem (CID 102600373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).