6-bromo-1-butan-2-yl-3-[2-(dimethylsulfamoylamino)ethyl]indole

C16H24BrN3O2S — CID 166910922

IUPAC6-bromo-1-butan-2-yl-3-[2-(dimethylsulfamoylamino)ethyl]indole
SMILESCCC(C)n1cc(CCNS(=O)(=O)N(C)C)c2ccc(Br)cc21
InChIInChI=1S/C16H24BrN3O2S/c1-5-12(2)20-11-13(8-9-18-23(21,22)19(3)4)15-7-6-14(17)10-16(15)20/h6-7,10-12,18H,5,8-9H2,1-4H3
InChIKeyBBFNQYPNIMCZSY-UHFFFAOYSA-N
MW402.36 g/mol
LogP3.31
Rot. Bonds7

About 6-bromo-1-butan-2-yl-3-[2-(dimethylsulfamoylamino)ethyl]indole

6-bromo-1-butan-2-yl-3-[2-(dimethylsulfamoylamino)ethyl]indole (PubChem CID 166910922) has the molecular formula C16H24BrN3O2S and a molecular weight of 402.36 g/mol. Its IUPAC name is 6-bromo-1-butan-2-yl-3-[2-(dimethylsulfamoylamino)ethyl]indole.

Molecular Properties

Compound Name6-bromo-1-butan-2-yl-3-[2-(dimethylsulfamoylamino)ethyl]indole
PubChem CID166910922
Molecular FormulaC16H24BrN3O2S
Molecular Weight402.36 g/mol
Exact Mass401.08
IUPAC Name6-bromo-1-butan-2-yl-3-[2-(dimethylsulfamoylamino)ethyl]indole
SMILESCCC(C)n1cc(CCNS(=O)(=O)N(C)C)c2ccc(Br)cc21
InChIInChI=1S/C16H24BrN3O2S/c1-5-12(2)20-11-13(8-9-18-23(21,22)19(3)4)15-7-6-14(17)10-16(15)20/h6-7,10-12,18H,5,8-9H2,1-4H3
InChIKeyBBFNQYPNIMCZSY-UHFFFAOYSA-N
XLogP3.31
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-butan-2-yl-3-[2-(dimethylsulfamoylamino)ethyl]indole?
The IUPAC name of 6-bromo-1-butan-2-yl-3-[2-(dimethylsulfamoylamino)ethyl]indole (CID 166910922) is 6-bromo-1-butan-2-yl-3-[2-(dimethylsulfamoylamino)ethyl]indole.
What is the SMILES notation for 6-bromo-1-butan-2-yl-3-[2-(dimethylsulfamoylamino)ethyl]indole?
The canonical SMILES for 6-bromo-1-butan-2-yl-3-[2-(dimethylsulfamoylamino)ethyl]indole is CCC(C)n1cc(CCNS(=O)(=O)N(C)C)c2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-butan-2-yl-3-[2-(dimethylsulfamoylamino)ethyl]indole?
The InChIKey is BBFNQYPNIMCZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O2S/c1-5-12(2)20-11-13(8-9-18-23(21,22)19(3)4)15-7-6-14(17)10-16(15)20/h6-7,10-12,18H,5,8-9H2,1-4H3.
What are the key properties of 6-bromo-1-butan-2-yl-3-[2-(dimethylsulfamoylamino)ethyl]indole?
6-bromo-1-butan-2-yl-3-[2-(dimethylsulfamoylamino)ethyl]indole has a molecular weight of 402.36 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-butan-2-yl-3-[2-(dimethylsulfamoylamino)ethyl]indole is sourced from PubChem (CID 166910922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).