1-[5-(3-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride

C15H22ClN3O3S — CID 119981862

IUPAC1-[5-(3-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N3CCNC(C)C3)ccc21.Cl
InChIInChI=1S/C15H21N3O3S.ClH/c1-11-10-17(8-6-16-11)22(20,21)14-3-4-15-13(9-14)5-7-18(15)12(2)19;/h3-4,9,11,16H,5-8,10H2,1-2H3;1H
InChIKeyVCORGGZYCKPBBN-UHFFFAOYSA-N
MW359.88 g/mol
LogP1.00
Rot. Bonds2

About 1-[5-(3-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride

1-[5-(3-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride (PubChem CID 119981862) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is 1-[5-(3-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[5-(3-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
PubChem CID119981862
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC Name1-[5-(3-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N3CCNC(C)C3)ccc21.Cl
InChIInChI=1S/C15H21N3O3S.ClH/c1-11-10-17(8-6-16-11)22(20,21)14-3-4-15-13(9-14)5-7-18(15)12(2)19;/h3-4,9,11,16H,5-8,10H2,1-2H3;1H
InChIKeyVCORGGZYCKPBBN-UHFFFAOYSA-N
XLogP1.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 119989182
1-[5-(2,2,6-trimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 48629717
1-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 3647350
1-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 3238875
1-[5-(4-benzyl-3-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 110657914
1-[5-(4-benzyl-3,5-dimethylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 110657750
1-methyl-5-(3-methylpiperazin-1-yl)sulfonyl-3H-indol-2-one
CID 65448429
1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]propan-2-one
CID 110665636
1-[5-(2-cyclopropylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 110871860
1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 75110472
1-[5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 120779993
1-[5-(2,7-diazaspiro[4.4]nonan-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 82038003

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-[5-(3-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride (CID 119981862) is 1-[5-(3-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[5-(3-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[5-(3-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride is CC(=O)N1CCc2cc(S(=O)(=O)N3CCNC(C)C3)ccc21.Cl.
What is the InChIKey of 1-[5-(3-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride?
The InChIKey is VCORGGZYCKPBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S.ClH/c1-11-10-17(8-6-16-11)22(20,21)14-3-4-15-13(9-14)5-7-18(15)12(2)19;/h3-4,9,11,16H,5-8,10H2,1-2H3;1H.
What are the key properties of 1-[5-(3-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride?
1-[5-(3-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride has a molecular weight of 359.88 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119981862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).