5-methoxy-1-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole

C22H27N3O4S — CID 10094169

IUPAC5-methoxy-1-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
SMILESCOc1ccc(S(=O)(=O)n2cc(CN3CCN(C)CC3)c3cc(OC)ccc32)cc1
InChIInChI=1S/C22H27N3O4S/c1-23-10-12-24(13-11-23)15-17-16-25(22-9-6-19(29-3)14-21(17)22)30(26,27)20-7-4-18(28-2)5-8-20/h4-9,14,16H,10-13,15H2,1-3H3
InChIKeyMLPQPSFNIQXTNE-UHFFFAOYSA-N
MW429.54 g/mol
LogP2.64
Rot. Bonds6

About 5-methoxy-1-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole

5-methoxy-1-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole (PubChem CID 10094169) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 5-methoxy-1-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole.

Molecular Properties

Compound Name5-methoxy-1-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
PubChem CID10094169
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name5-methoxy-1-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
SMILESCOc1ccc(S(=O)(=O)n2cc(CN3CCN(C)CC3)c3cc(OC)ccc32)cc1
InChIInChI=1S/C22H27N3O4S/c1-23-10-12-24(13-11-23)15-17-16-25(22-9-6-19(29-3)14-21(17)22)30(26,27)20-7-4-18(28-2)5-8-20/h4-9,14,16H,10-13,15H2,1-3H3
InChIKeyMLPQPSFNIQXTNE-UHFFFAOYSA-N
XLogP2.64
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole?
The IUPAC name of 5-methoxy-1-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole (CID 10094169) is 5-methoxy-1-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole.
What is the SMILES notation for 5-methoxy-1-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole?
The canonical SMILES for 5-methoxy-1-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole is COc1ccc(S(=O)(=O)n2cc(CN3CCN(C)CC3)c3cc(OC)ccc32)cc1.
What is the InChIKey of 5-methoxy-1-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole?
The InChIKey is MLPQPSFNIQXTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-23-10-12-24(13-11-23)15-17-16-25(22-9-6-19(29-3)14-21(17)22)30(26,27)20-7-4-18(28-2)5-8-20/h4-9,14,16H,10-13,15H2,1-3H3.
What are the key properties of 5-methoxy-1-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole?
5-methoxy-1-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole has a molecular weight of 429.54 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole is sourced from PubChem (CID 10094169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).