6-chloro-5-(4,5-dibromothiophene-2-carbonyl)-1,3-dihydroindol-2-one

C13H6Br2ClNO2S — CID 80536252

IUPAC6-chloro-5-(4,5-dibromothiophene-2-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)c3cc(Br)c(Br)s3)c(Cl)cc2N1
InChIInChI=1S/C13H6Br2ClNO2S/c14-7-3-10(20-13(7)15)12(19)6-1-5-2-11(18)17-9(5)4-8(6)16/h1,3-4H,2H2,(H,17,18)
InChIKeyZIKXTMUPNMJBMS-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.65
Rot. Bonds2

About 6-chloro-5-(4,5-dibromothiophene-2-carbonyl)-1,3-dihydroindol-2-one

6-chloro-5-(4,5-dibromothiophene-2-carbonyl)-1,3-dihydroindol-2-one (PubChem CID 80536252) has the molecular formula C13H6Br2ClNO2S and a molecular weight of 435.52 g/mol. Its IUPAC name is 6-chloro-5-(4,5-dibromothiophene-2-carbonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-(4,5-dibromothiophene-2-carbonyl)-1,3-dihydroindol-2-one
PubChem CID80536252
Molecular FormulaC13H6Br2ClNO2S
Molecular Weight435.52 g/mol
Exact Mass432.82
IUPAC Name6-chloro-5-(4,5-dibromothiophene-2-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)c3cc(Br)c(Br)s3)c(Cl)cc2N1
InChIInChI=1S/C13H6Br2ClNO2S/c14-7-3-10(20-13(7)15)12(19)6-1-5-2-11(18)17-9(5)4-8(6)16/h1,3-4H,2H2,(H,17,18)
InChIKeyZIKXTMUPNMJBMS-UHFFFAOYSA-N
XLogP4.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-bromo-4-methylthiophene-2-carbonyl)-6-chloro-1,3-dihydroindol-2-one
CID 79981558
5-(2-bromofuran-3-carbonyl)-6-chloro-1,3-dihydroindol-2-one
CID 106851318
5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one
CID 10541398
5-(3-bromo-5-fluorobenzoyl)-6-chloro-1,3-dihydroindol-2-one
CID 43457411
6-chloro-5-(2-chloro-6-fluorobenzoyl)-1,3-dihydroindol-2-one
CID 43457450
7-(5-bromo-4-methylthiophene-2-carbonyl)-6-chloro-4H-1,4-benzoxazin-3-one
CID 79976801
6-chloro-5-(2-chloro-4-methylbenzoyl)-1,3-dihydroindol-2-one
CID 106860794
6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one
CID 3730946
(4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone
CID 80532703
6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one
CID 65151637
5-(2-amino-5-methylbenzoyl)-6-chloro-1,3-dihydroindol-2-one
CID 65454554
6-chloro-5-(3-chloro-4-iodobenzoyl)-1,3-dihydroindol-2-one
CID 103219673

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(4,5-dibromothiophene-2-carbonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-(4,5-dibromothiophene-2-carbonyl)-1,3-dihydroindol-2-one (CID 80536252) is 6-chloro-5-(4,5-dibromothiophene-2-carbonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-(4,5-dibromothiophene-2-carbonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-(4,5-dibromothiophene-2-carbonyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)c3cc(Br)c(Br)s3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-(4,5-dibromothiophene-2-carbonyl)-1,3-dihydroindol-2-one?
The InChIKey is ZIKXTMUPNMJBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2ClNO2S/c14-7-3-10(20-13(7)15)12(19)6-1-5-2-11(18)17-9(5)4-8(6)16/h1,3-4H,2H2,(H,17,18).
What are the key properties of 6-chloro-5-(4,5-dibromothiophene-2-carbonyl)-1,3-dihydroindol-2-one?
6-chloro-5-(4,5-dibromothiophene-2-carbonyl)-1,3-dihydroindol-2-one has a molecular weight of 435.52 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(4,5-dibromothiophene-2-carbonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 80536252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).