N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrrole-3-sulfonamide;hydrochloride

C24H30ClN3O2S — CID 57467304

IUPACN-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrrole-3-sulfonamide;hydrochloride
SMILESCNC1CCc2ccc(CNS(=O)(=O)c3ccn(C)c3)cc2C1Cc1ccccc1.Cl
InChIInChI=1S/C24H29N3O2S.ClH/c1-25-24-11-10-20-9-8-19(16-26-30(28,29)21-12-13-27(2)17-21)15-22(20)23(24)14-18-6-4-3-5-7-18;/h3-9,12-13,15,17,23-26H,10-11,14,16H2,1-2H3;1H
InChIKeyPCUQAXYVOVEEFN-UHFFFAOYSA-N
MW460.04 g/mol
LogP3.79
Rot. Bonds7

About N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrrole-3-sulfonamide;hydrochloride

N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrrole-3-sulfonamide;hydrochloride (PubChem CID 57467304) has the molecular formula C24H30ClN3O2S and a molecular weight of 460.04 g/mol. Its IUPAC name is N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrrole-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrrole-3-sulfonamide;hydrochloride
PubChem CID57467304
Molecular FormulaC24H30ClN3O2S
Molecular Weight460.04 g/mol
Exact Mass459.17
IUPAC NameN-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrrole-3-sulfonamide;hydrochloride
SMILESCNC1CCc2ccc(CNS(=O)(=O)c3ccn(C)c3)cc2C1Cc1ccccc1.Cl
InChIInChI=1S/C24H29N3O2S.ClH/c1-25-24-11-10-20-9-8-19(16-26-30(28,29)21-12-13-27(2)17-21)15-22(20)23(24)14-18-6-4-3-5-7-18;/h3-9,12-13,15,17,23-26H,10-11,14,16H2,1-2H3;1H
InChIKeyPCUQAXYVOVEEFN-UHFFFAOYSA-N
XLogP3.79
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.04
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrrole-3-sulfonamide;hydrochloride?
The IUPAC name of N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrrole-3-sulfonamide;hydrochloride (CID 57467304) is N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrrole-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrrole-3-sulfonamide;hydrochloride?
The canonical SMILES for N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrrole-3-sulfonamide;hydrochloride is CNC1CCc2ccc(CNS(=O)(=O)c3ccn(C)c3)cc2C1Cc1ccccc1.Cl.
What is the InChIKey of N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrrole-3-sulfonamide;hydrochloride?
The InChIKey is PCUQAXYVOVEEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S.ClH/c1-25-24-11-10-20-9-8-19(16-26-30(28,29)21-12-13-27(2)17-21)15-22(20)23(24)14-18-6-4-3-5-7-18;/h3-9,12-13,15,17,23-26H,10-11,14,16H2,1-2H3;1H.
What are the key properties of N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrrole-3-sulfonamide;hydrochloride?
N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrrole-3-sulfonamide;hydrochloride has a molecular weight of 460.04 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrrole-3-sulfonamide;hydrochloride is sourced from PubChem (CID 57467304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).