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

C18H17ClN2O2S — CID 10155466

IUPAC7-(4-chloroindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESO=S(=O)(c1ccc2c(c1)CCNCC2)n1ccc2c(Cl)cccc21
InChIInChI=1S/C18H17ClN2O2S/c19-17-2-1-3-18-16(17)8-11-21(18)24(22,23)15-5-4-13-6-9-20-10-7-14(13)12-15/h1-5,8,11-12,20H,6-7,9-10H2
InChIKeyIMEFCVCOWMGFSJ-UHFFFAOYSA-N
MW360.87 g/mol
LogP3.22
Rot. Bonds2

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

7-(4-chloroindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 10155466) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is 7-(4-chloroindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name7-(4-chloroindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID10155466
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC Name7-(4-chloroindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESO=S(=O)(c1ccc2c(c1)CCNCC2)n1ccc2c(Cl)cccc21
InChIInChI=1S/C18H17ClN2O2S/c19-17-2-1-3-18-16(17)8-11-21(18)24(22,23)15-5-4-13-6-9-20-10-7-14(13)12-15/h1-5,8,11-12,20H,6-7,9-10H2
InChIKeyIMEFCVCOWMGFSJ-UHFFFAOYSA-N
XLogP3.22
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-4-chloroindole
CID 11716255
1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylindole
CID 10271920
7-(7-bromoindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10272608
6-(4-chloroindol-1-yl)sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 141293458
1-(4-chlorophenyl)sulfonyl-6,7,8,9-tetrahydro-5H-pyrrolo[3,2-h][3]benzazepine
CID 44579130
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
formic acid;6-(4-piperazin-1-ylindol-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 157455881
7-(3-benzylindol-1-yl)sulfonyl-1,2,3,4-tetrahydroisoquinoline
CID 10179254
7-[3-(3-chlorophenoxy)azetidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 44573160
1-(2,4-dichlorophenyl)sulfonyl-4-piperazin-1-ylindole
CID 10158464
4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
CID 118181436

Frequently Asked Questions

What is the IUPAC name of 7-(4-chloroindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of 7-(4-chloroindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 10155466) is 7-(4-chloroindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for 7-(4-chloroindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for 7-(4-chloroindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine is O=S(=O)(c1ccc2c(c1)CCNCC2)n1ccc2c(Cl)cccc21.
What is the InChIKey of 7-(4-chloroindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is IMEFCVCOWMGFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c19-17-2-1-3-18-16(17)8-11-21(18)24(22,23)15-5-4-13-6-9-20-10-7-14(13)12-15/h1-5,8,11-12,20H,6-7,9-10H2.
What are the key properties of 7-(4-chloroindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
7-(4-chloroindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 360.87 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chloroindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 10155466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).