5-[(3-bromophenyl)methylsulfonyl]-1,3-dihydroindol-2-one

C15H12BrNO3S — CID 18179929

IUPAC5-[(3-bromophenyl)methylsulfonyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)Cc3cccc(Br)c3)ccc2N1
InChIInChI=1S/C15H12BrNO3S/c16-12-3-1-2-10(6-12)9-21(19,20)13-4-5-14-11(7-13)8-15(18)17-14/h1-7H,8-9H2,(H,17,18)
InChIKeyHWOGGWDBWFHDPW-UHFFFAOYSA-N
MW366.24 g/mol
LogP2.92
Rot. Bonds3

About 5-[(3-bromophenyl)methylsulfonyl]-1,3-dihydroindol-2-one

5-[(3-bromophenyl)methylsulfonyl]-1,3-dihydroindol-2-one (PubChem CID 18179929) has the molecular formula C15H12BrNO3S and a molecular weight of 366.24 g/mol. Its IUPAC name is 5-[(3-bromophenyl)methylsulfonyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(3-bromophenyl)methylsulfonyl]-1,3-dihydroindol-2-one
PubChem CID18179929
Molecular FormulaC15H12BrNO3S
Molecular Weight366.24 g/mol
Exact Mass364.97
IUPAC Name5-[(3-bromophenyl)methylsulfonyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)Cc3cccc(Br)c3)ccc2N1
InChIInChI=1S/C15H12BrNO3S/c16-12-3-1-2-10(6-12)9-21(19,20)13-4-5-14-11(7-13)8-15(18)17-14/h1-7H,8-9H2,(H,17,18)
InChIKeyHWOGGWDBWFHDPW-UHFFFAOYSA-N
XLogP2.92
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenyl)methylsulfonyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(3-bromophenyl)methylsulfonyl]-1,3-dihydroindol-2-one (CID 18179929) is 5-[(3-bromophenyl)methylsulfonyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(3-bromophenyl)methylsulfonyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(3-bromophenyl)methylsulfonyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(S(=O)(=O)Cc3cccc(Br)c3)ccc2N1.
What is the InChIKey of 5-[(3-bromophenyl)methylsulfonyl]-1,3-dihydroindol-2-one?
The InChIKey is HWOGGWDBWFHDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO3S/c16-12-3-1-2-10(6-12)9-21(19,20)13-4-5-14-11(7-13)8-15(18)17-14/h1-7H,8-9H2,(H,17,18).
What are the key properties of 5-[(3-bromophenyl)methylsulfonyl]-1,3-dihydroindol-2-one?
5-[(3-bromophenyl)methylsulfonyl]-1,3-dihydroindol-2-one has a molecular weight of 366.24 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenyl)methylsulfonyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 18179929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).