N-[2-(3,4-dihydronaphthalen-1-yl)propyl]-4-methylbenzenesulfonamide

C20H23NO2S — CID 71601716

IUPACN-[2-(3,4-dihydronaphthalen-1-yl)propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)C2=CCCc3ccccc32)cc1
InChIInChI=1S/C20H23NO2S/c1-15-10-12-18(13-11-15)24(22,23)21-14-16(2)19-9-5-7-17-6-3-4-8-20(17)19/h3-4,6,8-13,16,21H,5,7,14H2,1-2H3
InChIKeyZUBMQMWLIBYNJB-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.94
Rot. Bonds5

About N-[2-(3,4-dihydronaphthalen-1-yl)propyl]-4-methylbenzenesulfonamide

N-[2-(3,4-dihydronaphthalen-1-yl)propyl]-4-methylbenzenesulfonamide (PubChem CID 71601716) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[2-(3,4-dihydronaphthalen-1-yl)propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydronaphthalen-1-yl)propyl]-4-methylbenzenesulfonamide
PubChem CID71601716
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC NameN-[2-(3,4-dihydronaphthalen-1-yl)propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)C2=CCCc3ccccc32)cc1
InChIInChI=1S/C20H23NO2S/c1-15-10-12-18(13-11-15)24(22,23)21-14-16(2)19-9-5-7-17-6-3-4-8-20(17)19/h3-4,6,8-13,16,21H,5,7,14H2,1-2H3
InChIKeyZUBMQMWLIBYNJB-UHFFFAOYSA-N
XLogP3.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydronaphthalen-1-yl)propyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(3,4-dihydronaphthalen-1-yl)propyl]-4-methylbenzenesulfonamide (CID 71601716) is N-[2-(3,4-dihydronaphthalen-1-yl)propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,4-dihydronaphthalen-1-yl)propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,4-dihydronaphthalen-1-yl)propyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(C)C2=CCCc3ccccc32)cc1.
What is the InChIKey of N-[2-(3,4-dihydronaphthalen-1-yl)propyl]-4-methylbenzenesulfonamide?
The InChIKey is ZUBMQMWLIBYNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-15-10-12-18(13-11-15)24(22,23)21-14-16(2)19-9-5-7-17-6-3-4-8-20(17)19/h3-4,6,8-13,16,21H,5,7,14H2,1-2H3.
What are the key properties of N-[2-(3,4-dihydronaphthalen-1-yl)propyl]-4-methylbenzenesulfonamide?
N-[2-(3,4-dihydronaphthalen-1-yl)propyl]-4-methylbenzenesulfonamide has a molecular weight of 341.48 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydronaphthalen-1-yl)propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 71601716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).