4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;hydrochloride

C19H24ClN3O2S — CID 120855200

IUPAC4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;hydrochloride
SMILESCS(=O)(=O)N1CCN(Cc2cccc3c2NCC3)Cc2ccccc21.Cl
InChIInChI=1S/C19H23N3O2S.ClH/c1-25(23,24)22-12-11-21(13-16-5-2-3-8-18(16)22)14-17-7-4-6-15-9-10-20-19(15)17;/h2-8,20H,9-14H2,1H3;1H
InChIKeyXNARMTCYMLWTLL-UHFFFAOYSA-N
MW393.94 g/mol
LogP2.86
Rot. Bonds3

About 4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;hydrochloride

4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;hydrochloride (PubChem CID 120855200) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;hydrochloride.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;hydrochloride
PubChem CID120855200
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;hydrochloride
SMILESCS(=O)(=O)N1CCN(Cc2cccc3c2NCC3)Cc2ccccc21.Cl
InChIInChI=1S/C19H23N3O2S.ClH/c1-25(23,24)22-12-11-21(13-16-5-2-3-8-18(16)22)14-17-7-4-6-15-9-10-20-19(15)17;/h2-8,20H,9-14H2,1H3;1H
InChIKeyXNARMTCYMLWTLL-UHFFFAOYSA-N
XLogP2.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 114326996
4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpropyl)piperazin-2-one;hydrochloride
CID 120849423
1-(2,3-dihydro-1H-indol-7-ylmethyl)piperidine-4-sulfonamide;hydrochloride
CID 120848251
1-(2,3-dihydroindol-1-yl)-2-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 120847846
7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327058
7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327101
7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277962
7-[(3-methylsulfonylazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 120858029
6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one;hydrochloride
CID 120849479
1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride
CID 120849941
7-(methylsulfonylmethyl)-2,3-dihydro-1H-indole
CID 115103899
(2R)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]propan-2-ol
CID 120848864

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;hydrochloride?
The IUPAC name of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;hydrochloride (CID 120855200) is 4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;hydrochloride.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;hydrochloride?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;hydrochloride is CS(=O)(=O)N1CCN(Cc2cccc3c2NCC3)Cc2ccccc21.Cl.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;hydrochloride?
The InChIKey is XNARMTCYMLWTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S.ClH/c1-25(23,24)22-12-11-21(13-16-5-2-3-8-18(16)22)14-17-7-4-6-15-9-10-20-19(15)17;/h2-8,20H,9-14H2,1H3;1H.
What are the key properties of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;hydrochloride?
4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;hydrochloride has a molecular weight of 393.94 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;hydrochloride is sourced from PubChem (CID 120855200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).