(5-bromo-4-methylthiophen-2-yl)-(4,6-dichloro-1H-indol-3-yl)methanone

C14H8BrCl2NOS — CID 103427940

IUPAC(5-bromo-4-methylthiophen-2-yl)-(4,6-dichloro-1H-indol-3-yl)methanone
SMILESCc1cc(C(=O)c2c[nH]c3cc(Cl)cc(Cl)c23)sc1Br
InChIInChI=1S/C14H8BrCl2NOS/c1-6-2-11(20-14(6)15)13(19)8-5-18-10-4-7(16)3-9(17)12(8)10/h2-5,18H,1H3
InChIKeyODFHZXAYDQMTCP-UHFFFAOYSA-N
MW389.10 g/mol
LogP5.84
Rot. Bonds2

About (5-bromo-4-methylthiophen-2-yl)-(4,6-dichloro-1H-indol-3-yl)methanone

(5-bromo-4-methylthiophen-2-yl)-(4,6-dichloro-1H-indol-3-yl)methanone (PubChem CID 103427940) has the molecular formula C14H8BrCl2NOS and a molecular weight of 389.10 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(4,6-dichloro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(4,6-dichloro-1H-indol-3-yl)methanone
PubChem CID103427940
Molecular FormulaC14H8BrCl2NOS
Molecular Weight389.10 g/mol
Exact Mass386.89
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(4,6-dichloro-1H-indol-3-yl)methanone
SMILESCc1cc(C(=O)c2c[nH]c3cc(Cl)cc(Cl)c23)sc1Br
InChIInChI=1S/C14H8BrCl2NOS/c1-6-2-11(20-14(6)15)13(19)8-5-18-10-4-7(16)3-9(17)12(8)10/h2-5,18H,1H3
InChIKeyODFHZXAYDQMTCP-UHFFFAOYSA-N
XLogP5.84
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.10
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103427878
(2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428580
(5-bromo-4-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096198
(3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 107998441
1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one
CID 103427821
3-(5-bromo-4-methylthiophene-2-carbonyl)-1H-indole-6-carbonitrile
CID 107916791
(4,6-dichloro-1H-indol-3-yl)-(2-fluorophenyl)methanone
CID 103427771
(4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone
CID 103427836
(4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428591
(2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428602
(2-aminophenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79991172
(3-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428581

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(4,6-dichloro-1H-indol-3-yl)methanone?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(4,6-dichloro-1H-indol-3-yl)methanone (CID 103427940) is (5-bromo-4-methylthiophen-2-yl)-(4,6-dichloro-1H-indol-3-yl)methanone.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(4,6-dichloro-1H-indol-3-yl)methanone?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(4,6-dichloro-1H-indol-3-yl)methanone is Cc1cc(C(=O)c2c[nH]c3cc(Cl)cc(Cl)c23)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(4,6-dichloro-1H-indol-3-yl)methanone?
The InChIKey is ODFHZXAYDQMTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2NOS/c1-6-2-11(20-14(6)15)13(19)8-5-18-10-4-7(16)3-9(17)12(8)10/h2-5,18H,1H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(4,6-dichloro-1H-indol-3-yl)methanone?
(5-bromo-4-methylthiophen-2-yl)-(4,6-dichloro-1H-indol-3-yl)methanone has a molecular weight of 389.10 g/mol, XLogP of 5.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(4,6-dichloro-1H-indol-3-yl)methanone is sourced from PubChem (CID 103427940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).