1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-propylpiperazin-1-yl)indole;hydrochloride

C23H30ClN3O4S — CID 141089039

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-propylpiperazin-1-yl)indole;hydrochloride
SMILESCCCN1CCN(c2ccc3c(ccn3S(=O)(=O)c3ccc(OC)c(OC)c3)c2)CC1.Cl
InChIInChI=1S/C23H29N3O4S.ClH/c1-4-10-24-12-14-25(15-13-24)19-5-7-21-18(16-19)9-11-26(21)31(27,28)20-6-8-22(29-2)23(17-20)30-3;/h5-9,11,16-17H,4,10,12-15H2,1-3H3;1H
InChIKeyFRVTZIFEBLBOSB-UHFFFAOYSA-N
MW480.03 g/mol
LogP3.85
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-propylpiperazin-1-yl)indole;hydrochloride

1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-propylpiperazin-1-yl)indole;hydrochloride (PubChem CID 141089039) has the molecular formula C23H30ClN3O4S and a molecular weight of 480.03 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-propylpiperazin-1-yl)indole;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-propylpiperazin-1-yl)indole;hydrochloride
PubChem CID141089039
Molecular FormulaC23H30ClN3O4S
Molecular Weight480.03 g/mol
Exact Mass479.16
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-propylpiperazin-1-yl)indole;hydrochloride
SMILESCCCN1CCN(c2ccc3c(ccn3S(=O)(=O)c3ccc(OC)c(OC)c3)c2)CC1.Cl
InChIInChI=1S/C23H29N3O4S.ClH/c1-4-10-24-12-14-25(15-13-24)19-5-7-21-18(16-19)9-11-26(21)31(27,28)20-6-8-22(29-2)23(17-20)30-3;/h5-9,11,16-17H,4,10,12-15H2,1-3H3;1H
InChIKeyFRVTZIFEBLBOSB-UHFFFAOYSA-N
XLogP3.85
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.03
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride
CID 69051523
5-(4-benzylpiperazin-1-yl)-1-(4-butoxyphenyl)sulfonylindole
CID 22015399
5-(4-benzylpiperazin-1-yl)-1-(4-phenylphenyl)sulfonylindole;hydrochloride
CID 69049725
5-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
CID 122520126
1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonylindole-5-carbonitrile
CID 118181439
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine
CID 1279364
amino (E)-3-[1-(3,4-dimethoxyphenyl)sulfonylindol-5-yl]prop-2-enoate
CID 67563232
1-(3-methoxy-4-propan-2-ylphenyl)-4-propylpiperazine
CID 176934846
1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 51260705
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylethanamine
CID 113073624
6-bromo-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonylindole
CID 118181432

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-propylpiperazin-1-yl)indole;hydrochloride?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-propylpiperazin-1-yl)indole;hydrochloride (CID 141089039) is 1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-propylpiperazin-1-yl)indole;hydrochloride.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-propylpiperazin-1-yl)indole;hydrochloride?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-propylpiperazin-1-yl)indole;hydrochloride is CCCN1CCN(c2ccc3c(ccn3S(=O)(=O)c3ccc(OC)c(OC)c3)c2)CC1.Cl.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-propylpiperazin-1-yl)indole;hydrochloride?
The InChIKey is FRVTZIFEBLBOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S.ClH/c1-4-10-24-12-14-25(15-13-24)19-5-7-21-18(16-19)9-11-26(21)31(27,28)20-6-8-22(29-2)23(17-20)30-3;/h5-9,11,16-17H,4,10,12-15H2,1-3H3;1H.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-propylpiperazin-1-yl)indole;hydrochloride?
1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-propylpiperazin-1-yl)indole;hydrochloride has a molecular weight of 480.03 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-propylpiperazin-1-yl)indole;hydrochloride is sourced from PubChem (CID 141089039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).