N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-phenylbenzenesulfonamide

C25H28N2O2S — CID 21063022

IUPACN-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-phenylbenzenesulfonamide
SMILESCN(C)CC1CCc2cc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2C1
InChIInChI=1S/C25H28N2O2S/c1-27(2)18-19-8-9-23-17-24(13-10-22(23)16-19)26-30(28,29)25-14-11-21(12-15-25)20-6-4-3-5-7-20/h3-7,10-15,17,19,26H,8-9,16,18H2,1-2H3
InChIKeyBMCLCCGIUCWIFZ-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.82
Rot. Bonds6

About N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-phenylbenzenesulfonamide

N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-phenylbenzenesulfonamide (PubChem CID 21063022) has the molecular formula C25H28N2O2S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-phenylbenzenesulfonamide
PubChem CID21063022
Molecular FormulaC25H28N2O2S
Molecular Weight420.58 g/mol
Exact Mass420.19
IUPAC NameN-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-phenylbenzenesulfonamide
SMILESCN(C)CC1CCc2cc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2C1
InChIInChI=1S/C25H28N2O2S/c1-27(2)18-19-8-9-23-17-24(13-10-22(23)16-19)26-30(28,29)25-14-11-21(12-15-25)20-6-4-3-5-7-20/h3-7,10-15,17,19,26H,8-9,16,18H2,1-2H3
InChIKeyBMCLCCGIUCWIFZ-UHFFFAOYSA-N
XLogP4.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-phenylbenzenesulfonamide (CID 21063022) is N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-phenylbenzenesulfonamide is CN(C)CC1CCc2cc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2C1.
What is the InChIKey of N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-phenylbenzenesulfonamide?
The InChIKey is BMCLCCGIUCWIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2S/c1-27(2)18-19-8-9-23-17-24(13-10-22(23)16-19)26-30(28,29)25-14-11-21(12-15-25)20-6-4-3-5-7-20/h3-7,10-15,17,19,26H,8-9,16,18H2,1-2H3.
What are the key properties of N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-phenylbenzenesulfonamide?
N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-phenylbenzenesulfonamide has a molecular weight of 420.58 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 21063022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).