4-methoxy-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-1-ylethyl)benzenesulfonamide

C24H29N3O3S — CID 118464995

IUPAC4-methoxy-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-1-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2cccc3ccccc23)cc1N1CCN(C)CC1
InChIInChI=1S/C24H29N3O3S/c1-26-14-16-27(17-15-26)23-18-21(10-11-24(23)30-2)31(28,29)25-13-12-20-8-5-7-19-6-3-4-9-22(19)20/h3-11,18,25H,12-17H2,1-2H3
InChIKeyPTKLNFTZLGQRAY-UHFFFAOYSA-N
MW439.58 g/mol
LogP3.12
Rot. Bonds7

About 4-methoxy-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-1-ylethyl)benzenesulfonamide

4-methoxy-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-1-ylethyl)benzenesulfonamide (PubChem CID 118464995) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is 4-methoxy-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-1-ylethyl)benzenesulfonamide
PubChem CID118464995
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC Name4-methoxy-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-1-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2cccc3ccccc23)cc1N1CCN(C)CC1
InChIInChI=1S/C24H29N3O3S/c1-26-14-16-27(17-15-26)23-18-21(10-11-24(23)30-2)31(28,29)25-13-12-20-8-5-7-19-6-3-4-9-22(19)20/h3-11,18,25H,12-17H2,1-2H3
InChIKeyPTKLNFTZLGQRAY-UHFFFAOYSA-N
XLogP3.12
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-1-ylethyl)benzenesulfonamide (CID 118464995) is 4-methoxy-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-1-ylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2cccc3ccccc23)cc1N1CCN(C)CC1.
What is the InChIKey of 4-methoxy-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-1-ylethyl)benzenesulfonamide?
The InChIKey is PTKLNFTZLGQRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-26-14-16-27(17-15-26)23-18-21(10-11-24(23)30-2)31(28,29)25-13-12-20-8-5-7-19-6-3-4-9-22(19)20/h3-11,18,25H,12-17H2,1-2H3.
What are the key properties of 4-methoxy-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-1-ylethyl)benzenesulfonamide?
4-methoxy-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-1-ylethyl)benzenesulfonamide has a molecular weight of 439.58 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 118464995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).