4-methoxy-N-[7-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide

C32H42N4O3S — CID 71660220

IUPAC4-methoxy-N-[7-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
SMILESCCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2C1
InChIInChI=1S/C32H42N4O3S/c1-3-17-35(21-18-34-19-22-36(23-20-34)29-7-5-4-6-8-29)30-12-10-26-9-11-28(24-27(26)25-30)33-40(37,38)32-15-13-31(39-2)14-16-32/h4-9,11,13-16,24,30,33H,3,10,12,17-23,25H2,1-2H3
InChIKeyNFQNUWPIIZWIKT-UHFFFAOYSA-N
MW562.78 g/mol
LogP4.89
Rot. Bonds11

About 4-methoxy-N-[7-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide

4-methoxy-N-[7-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide (PubChem CID 71660220) has the molecular formula C32H42N4O3S and a molecular weight of 562.78 g/mol. Its IUPAC name is 4-methoxy-N-[7-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[7-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
PubChem CID71660220
Molecular FormulaC32H42N4O3S
Molecular Weight562.78 g/mol
Exact Mass562.30
IUPAC Name4-methoxy-N-[7-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
SMILESCCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2C1
InChIInChI=1S/C32H42N4O3S/c1-3-17-35(21-18-34-19-22-36(23-20-34)29-7-5-4-6-8-29)30-12-10-26-9-11-28(24-27(26)25-30)33-40(37,38)32-15-13-31(39-2)14-16-32/h4-9,11,13-16,24,30,33H,3,10,12,17-23,25H2,1-2H3
InChIKeyNFQNUWPIIZWIKT-UHFFFAOYSA-N
XLogP4.89
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.78
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[7-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[7-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide (CID 71660220) is 4-methoxy-N-[7-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[7-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[7-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide is CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2C1.
What is the InChIKey of 4-methoxy-N-[7-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide?
The InChIKey is NFQNUWPIIZWIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N4O3S/c1-3-17-35(21-18-34-19-22-36(23-20-34)29-7-5-4-6-8-29)30-12-10-26-9-11-28(24-27(26)25-30)33-40(37,38)32-15-13-31(39-2)14-16-32/h4-9,11,13-16,24,30,33H,3,10,12,17-23,25H2,1-2H3.
What are the key properties of 4-methoxy-N-[7-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide?
4-methoxy-N-[7-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide has a molecular weight of 562.78 g/mol, XLogP of 4.89, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[7-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide is sourced from PubChem (CID 71660220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).