7-bromo-3-ethyl-1-(4-methylphenyl)sulfonylindole

C17H16BrNO2S — CID 173164693

IUPAC7-bromo-3-ethyl-1-(4-methylphenyl)sulfonylindole
SMILESCCc1cn(S(=O)(=O)c2ccc(C)cc2)c2c(Br)cccc12
InChIInChI=1S/C17H16BrNO2S/c1-3-13-11-19(17-15(13)5-4-6-16(17)18)22(20,21)14-9-7-12(2)8-10-14/h4-11H,3H2,1-2H3
InChIKeyWXPJYXMTFZYGEC-UHFFFAOYSA-N
MW378.29 g/mol
LogP4.51
Rot. Bonds3

About 7-bromo-3-ethyl-1-(4-methylphenyl)sulfonylindole

7-bromo-3-ethyl-1-(4-methylphenyl)sulfonylindole (PubChem CID 173164693) has the molecular formula C17H16BrNO2S and a molecular weight of 378.29 g/mol. Its IUPAC name is 7-bromo-3-ethyl-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name7-bromo-3-ethyl-1-(4-methylphenyl)sulfonylindole
PubChem CID173164693
Molecular FormulaC17H16BrNO2S
Molecular Weight378.29 g/mol
Exact Mass377.01
IUPAC Name7-bromo-3-ethyl-1-(4-methylphenyl)sulfonylindole
SMILESCCc1cn(S(=O)(=O)c2ccc(C)cc2)c2c(Br)cccc12
InChIInChI=1S/C17H16BrNO2S/c1-3-13-11-19(17-15(13)5-4-6-16(17)18)22(20,21)14-9-7-12(2)8-10-14/h4-11H,3H2,1-2H3
InChIKeyWXPJYXMTFZYGEC-UHFFFAOYSA-N
XLogP4.51
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-3-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine
CID 123815720
3-iodo-7-methyl-1-(4-methylphenyl)sulfonylindole
CID 118449865
5-ethoxy-3-ethyl-1-(4-methylphenyl)sulfonylindole
CID 143660405
3-bromo-5,7-difluoro-1-(4-methylphenyl)sulfonylindole
CID 118871807
1-[3-bromo-1-(4-methylphenyl)sulfonylindol-7-yl]piperidin-2-one
CID 146446812
3-bromo-1-(4-methylphenyl)sulfonyl-4-prop-2-enylindole
CID 11280729
4-(bromomethyl)-1-(4-methylphenyl)sulfonylindole
CID 13044879
7-bromo-2-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylindole
CID 123233802
N,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine
CID 177498842
4-bromo-3-(2,2-dibromoethenyl)-1-(4-methylphenyl)sulfonylindole
CID 53375363
1-[3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-5-yl]propan-2-one
CID 161088350
5-[[4-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carbaldehyde
CID 138970193

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-ethyl-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 7-bromo-3-ethyl-1-(4-methylphenyl)sulfonylindole (CID 173164693) is 7-bromo-3-ethyl-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 7-bromo-3-ethyl-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 7-bromo-3-ethyl-1-(4-methylphenyl)sulfonylindole is CCc1cn(S(=O)(=O)c2ccc(C)cc2)c2c(Br)cccc12.
What is the InChIKey of 7-bromo-3-ethyl-1-(4-methylphenyl)sulfonylindole?
The InChIKey is WXPJYXMTFZYGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2S/c1-3-13-11-19(17-15(13)5-4-6-16(17)18)22(20,21)14-9-7-12(2)8-10-14/h4-11H,3H2,1-2H3.
What are the key properties of 7-bromo-3-ethyl-1-(4-methylphenyl)sulfonylindole?
7-bromo-3-ethyl-1-(4-methylphenyl)sulfonylindole has a molecular weight of 378.29 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-ethyl-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 173164693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).