4-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-1-ylsulfonylindole

C24H25N3O2S — CID 24967099

IUPAC4-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-1-ylsulfonylindole
SMILESCN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C24H25N3O2S/c1-25-14-16-26(17-15-25)18-20-8-4-10-23-21(20)12-13-27(23)30(28,29)24-11-5-7-19-6-2-3-9-22(19)24/h2-13H,14-18H2,1H3
InChIKeyPWLVTQLLKZJACN-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.78
Rot. Bonds4

About 4-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-1-ylsulfonylindole

4-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-1-ylsulfonylindole (PubChem CID 24967099) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 4-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-1-ylsulfonylindole.

Molecular Properties

Compound Name4-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-1-ylsulfonylindole
PubChem CID24967099
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name4-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-1-ylsulfonylindole
SMILESCN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C24H25N3O2S/c1-25-14-16-26(17-15-25)18-20-8-4-10-23-21(20)12-13-27(23)30(28,29)24-11-5-7-19-6-2-3-9-22(19)24/h2-13H,14-18H2,1H3
InChIKeyPWLVTQLLKZJACN-UHFFFAOYSA-N
XLogP3.78
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-bromophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole
CID 24965679
1-(3-fluorophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole
CID 24965682
1-(2-bromophenyl)sulfonyl-4-(piperazin-1-ylmethyl)indole
CID 68544798
1-(benzenesulfonyl)-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10317027
4-(pyrrolidin-1-ylmethyl)-1-thiophen-2-ylsulfonylindole
CID 24774937
1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylindole
CID 10113365
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
1-(2-bromo-4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole;hydrochloride
CID 66852737
1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
CID 9184964
1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole
CID 10108884
1-naphthalen-1-ylsulfonyl-4-pyrrolidin-3-yloxyindole
CID 10111124
1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
CID 22208056

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-1-ylsulfonylindole?
The IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-1-ylsulfonylindole (CID 24967099) is 4-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-1-ylsulfonylindole.
What is the SMILES notation for 4-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-1-ylsulfonylindole?
The canonical SMILES for 4-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-1-ylsulfonylindole is CN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of 4-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-1-ylsulfonylindole?
The InChIKey is PWLVTQLLKZJACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-25-14-16-26(17-15-25)18-20-8-4-10-23-21(20)12-13-27(23)30(28,29)24-11-5-7-19-6-2-3-9-22(19)24/h2-13H,14-18H2,1H3.
What are the key properties of 4-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-1-ylsulfonylindole?
4-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-1-ylsulfonylindole has a molecular weight of 419.55 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-1-ylsulfonylindole is sourced from PubChem (CID 24967099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).