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

C14H9BrClNO2S — CID 79981558

IUPAC5-(5-bromo-4-methylthiophene-2-carbonyl)-6-chloro-1,3-dihydroindol-2-one
SMILESCc1cc(C(=O)c2cc3c(cc2Cl)NC(=O)C3)sc1Br
InChIInChI=1S/C14H9BrClNO2S/c1-6-2-11(20-14(6)15)13(19)8-3-7-4-12(18)17-10(7)5-9(8)16/h2-3,5H,4H2,1H3,(H,17,18)
InChIKeySIRLSMUVMPMAQX-UHFFFAOYSA-N
MW370.66 g/mol
LogP4.20
Rot. Bonds2

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

5-(5-bromo-4-methylthiophene-2-carbonyl)-6-chloro-1,3-dihydroindol-2-one (PubChem CID 79981558) has the molecular formula C14H9BrClNO2S and a molecular weight of 370.66 g/mol. Its IUPAC name is 5-(5-bromo-4-methylthiophene-2-carbonyl)-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(5-bromo-4-methylthiophene-2-carbonyl)-6-chloro-1,3-dihydroindol-2-one
PubChem CID79981558
Molecular FormulaC14H9BrClNO2S
Molecular Weight370.66 g/mol
Exact Mass368.92
IUPAC Name5-(5-bromo-4-methylthiophene-2-carbonyl)-6-chloro-1,3-dihydroindol-2-one
SMILESCc1cc(C(=O)c2cc3c(cc2Cl)NC(=O)C3)sc1Br
InChIInChI=1S/C14H9BrClNO2S/c1-6-2-11(20-14(6)15)13(19)8-3-7-4-12(18)17-10(7)5-9(8)16/h2-3,5H,4H2,1H3,(H,17,18)
InChIKeySIRLSMUVMPMAQX-UHFFFAOYSA-N
XLogP4.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.66
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-(4,5-dibromothiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 80536252
7-(5-bromo-4-methylthiophene-2-carbonyl)-6-chloro-4H-1,4-benzoxazin-3-one
CID 79976801
5-(5-bromo-4-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 79981848
6-chloro-5-(2-chloro-4-methylbenzoyl)-1,3-dihydroindol-2-one
CID 106860794
5-(2-bromofuran-3-carbonyl)-6-chloro-1,3-dihydroindol-2-one
CID 106851318
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
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
6-chloro-5-methyl-1,3-dihydroindol-2-one;ethane
CID 144928829
6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one
CID 3730946

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-4-methylthiophene-2-carbonyl)-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-(5-bromo-4-methylthiophene-2-carbonyl)-6-chloro-1,3-dihydroindol-2-one (CID 79981558) is 5-(5-bromo-4-methylthiophene-2-carbonyl)-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(5-bromo-4-methylthiophene-2-carbonyl)-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(5-bromo-4-methylthiophene-2-carbonyl)-6-chloro-1,3-dihydroindol-2-one is Cc1cc(C(=O)c2cc3c(cc2Cl)NC(=O)C3)sc1Br.
What is the InChIKey of 5-(5-bromo-4-methylthiophene-2-carbonyl)-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is SIRLSMUVMPMAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClNO2S/c1-6-2-11(20-14(6)15)13(19)8-3-7-4-12(18)17-10(7)5-9(8)16/h2-3,5H,4H2,1H3,(H,17,18).
What are the key properties of 5-(5-bromo-4-methylthiophene-2-carbonyl)-6-chloro-1,3-dihydroindol-2-one?
5-(5-bromo-4-methylthiophene-2-carbonyl)-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 370.66 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-4-methylthiophene-2-carbonyl)-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 79981558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).