1-(2-bromophenyl)sulfonyl-6-chloro-3-ethoxy-2-methylindole

C17H15BrClNO3S — CID 173211926

IUPAC1-(2-bromophenyl)sulfonyl-6-chloro-3-ethoxy-2-methylindole
SMILESCCOc1c(C)n(S(=O)(=O)c2ccccc2Br)c2cc(Cl)ccc12
InChIInChI=1S/C17H15BrClNO3S/c1-3-23-17-11(2)20(15-10-12(19)8-9-13(15)17)24(21,22)16-7-5-4-6-14(16)18/h4-10H,3H2,1-2H3
InChIKeyADXUWMOACZBPCF-UHFFFAOYSA-N
MW428.74 g/mol
LogP5.00
Rot. Bonds4

About 1-(2-bromophenyl)sulfonyl-6-chloro-3-ethoxy-2-methylindole

1-(2-bromophenyl)sulfonyl-6-chloro-3-ethoxy-2-methylindole (PubChem CID 173211926) has the molecular formula C17H15BrClNO3S and a molecular weight of 428.74 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfonyl-6-chloro-3-ethoxy-2-methylindole.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfonyl-6-chloro-3-ethoxy-2-methylindole
PubChem CID173211926
Molecular FormulaC17H15BrClNO3S
Molecular Weight428.74 g/mol
Exact Mass426.96
IUPAC Name1-(2-bromophenyl)sulfonyl-6-chloro-3-ethoxy-2-methylindole
SMILESCCOc1c(C)n(S(=O)(=O)c2ccccc2Br)c2cc(Cl)ccc12
InChIInChI=1S/C17H15BrClNO3S/c1-3-23-17-11(2)20(15-10-12(19)8-9-13(15)17)24(21,22)16-7-5-4-6-14(16)18/h4-10H,3H2,1-2H3
InChIKeyADXUWMOACZBPCF-UHFFFAOYSA-N
XLogP5.00
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.74
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-ethoxy-2-methyl-1-(4-methylphenyl)sulfonylindole
CID 173212087
2-[1-(2-bromophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68692673
ethyl 1-(2-bromophenyl)sulfonyl-2-(3-chlorophenyl)-2,5-dihydropyrrole-3-carboxylate
CID 51359129
2-[1-(2-bromophenyl)sulfonyl-5,7-dichloro-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68690574
3,5-dibromo-4-ethoxybenzenesulfonyl chloride
CID 43134474
(2-ethoxyphenyl) 2-bromobenzenesulfonate
CID 26948942
2-[1-(2-bromo-4-methoxyphenyl)sulfonyl-6-chloroindol-3-yl]oxy-N,N-dimethylethanamine
CID 68693045
N-(2-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide
CID 100507191
1-(5-chloro-2-ethoxyphenyl)sulfonylbenzotriazole
CID 976825
1-(2-bromo-5-chlorophenyl)sulfonyl-3,5-dimethylpyrazole
CID 21204019
2-bromo-5-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]aniline
CID 81268819
(2-bromophenyl)-ethyl-imino-oxo-λ6-sulfane
CID 125424894

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfonyl-6-chloro-3-ethoxy-2-methylindole?
The IUPAC name of 1-(2-bromophenyl)sulfonyl-6-chloro-3-ethoxy-2-methylindole (CID 173211926) is 1-(2-bromophenyl)sulfonyl-6-chloro-3-ethoxy-2-methylindole.
What is the SMILES notation for 1-(2-bromophenyl)sulfonyl-6-chloro-3-ethoxy-2-methylindole?
The canonical SMILES for 1-(2-bromophenyl)sulfonyl-6-chloro-3-ethoxy-2-methylindole is CCOc1c(C)n(S(=O)(=O)c2ccccc2Br)c2cc(Cl)ccc12.
What is the InChIKey of 1-(2-bromophenyl)sulfonyl-6-chloro-3-ethoxy-2-methylindole?
The InChIKey is ADXUWMOACZBPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO3S/c1-3-23-17-11(2)20(15-10-12(19)8-9-13(15)17)24(21,22)16-7-5-4-6-14(16)18/h4-10H,3H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)sulfonyl-6-chloro-3-ethoxy-2-methylindole?
1-(2-bromophenyl)sulfonyl-6-chloro-3-ethoxy-2-methylindole has a molecular weight of 428.74 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfonyl-6-chloro-3-ethoxy-2-methylindole is sourced from PubChem (CID 173211926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).