7-(7-bromoindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine

C18H17BrN2O2S — CID 10272608

IUPAC7-(7-bromoindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESO=S(=O)(c1ccc2c(c1)CCNCC2)n1ccc2cccc(Br)c21
InChIInChI=1S/C18H17BrN2O2S/c19-17-3-1-2-14-8-11-21(18(14)17)24(22,23)16-5-4-13-6-9-20-10-7-15(13)12-16/h1-5,8,11-12,20H,6-7,9-10H2
InChIKeyLUEMKKOXASUCTB-UHFFFAOYSA-N
MW405.32 g/mol
LogP3.33
Rot. Bonds2

About 7-(7-bromoindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine

7-(7-bromoindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 10272608) has the molecular formula C18H17BrN2O2S and a molecular weight of 405.32 g/mol. Its IUPAC name is 7-(7-bromoindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name7-(7-bromoindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID10272608
Molecular FormulaC18H17BrN2O2S
Molecular Weight405.32 g/mol
Exact Mass404.02
IUPAC Name7-(7-bromoindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESO=S(=O)(c1ccc2c(c1)CCNCC2)n1ccc2cccc(Br)c21
InChIInChI=1S/C18H17BrN2O2S/c19-17-3-1-2-14-8-11-21(18(14)17)24(22,23)16-5-4-13-6-9-20-10-7-15(13)12-16/h1-5,8,11-12,20H,6-7,9-10H2
InChIKeyLUEMKKOXASUCTB-UHFFFAOYSA-N
XLogP3.33
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-7-bromoindole
CID 46738223
7-(4-chloroindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10155466
1-(4-chlorophenyl)sulfonyl-6,7,8,9-tetrahydro-5H-pyrrolo[3,2-h][3]benzazepine
CID 44579130
methanesulfonic acid;7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 88641424
7-[3-(3-chlorophenoxy)azetidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 44573160
1-(3-bromo-4-methylphenyl)sulfonylindole
CID 66766050
methyl 7-bromo-1-(4-methylphenyl)sulfonylindole-5-carboxylate
CID 139561572
7-methylsulfonyl-1,2,3,4-tetrahydroisoquinoline
CID 23336575
9-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 120719704
7-[3-(2-chlorophenoxy)azetidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 44573159
1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole;dihydrochloride
CID 10183265
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119270351

Frequently Asked Questions

What is the IUPAC name of 7-(7-bromoindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of 7-(7-bromoindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 10272608) is 7-(7-bromoindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for 7-(7-bromoindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for 7-(7-bromoindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine is O=S(=O)(c1ccc2c(c1)CCNCC2)n1ccc2cccc(Br)c21.
What is the InChIKey of 7-(7-bromoindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is LUEMKKOXASUCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2S/c19-17-3-1-2-14-8-11-21(18(14)17)24(22,23)16-5-4-13-6-9-20-10-7-15(13)12-16/h1-5,8,11-12,20H,6-7,9-10H2.
What are the key properties of 7-(7-bromoindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
7-(7-bromoindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 405.32 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-bromoindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 10272608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).