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

C23H28N4O2S — CID 57471340

IUPACN-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrazole-3-sulfonamide
SMILESCNC1CCc2ccc(CNS(=O)(=O)c3ccn(C)n3)cc2C1Cc1ccccc1
InChIInChI=1S/C23H28N4O2S/c1-24-22-11-10-19-9-8-18(16-25-30(28,29)23-12-13-27(2)26-23)15-20(19)21(22)14-17-6-4-3-5-7-17/h3-9,12-13,15,21-22,24-25H,10-11,14,16H2,1-2H3
InChIKeyZMJOEAQRUQLBHK-UHFFFAOYSA-N
MW424.57 g/mol
LogP2.76
Rot. Bonds7

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

N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrazole-3-sulfonamide (PubChem CID 57471340) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrazole-3-sulfonamide
PubChem CID57471340
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC NameN-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrazole-3-sulfonamide
SMILESCNC1CCc2ccc(CNS(=O)(=O)c3ccn(C)n3)cc2C1Cc1ccccc1
InChIInChI=1S/C23H28N4O2S/c1-24-22-11-10-19-9-8-18(16-25-30(28,29)23-12-13-27(2)26-23)15-20(19)21(22)14-17-6-4-3-5-7-17/h3-9,12-13,15,21-22,24-25H,10-11,14,16H2,1-2H3
InChIKeyZMJOEAQRUQLBHK-UHFFFAOYSA-N
XLogP2.76
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-methylpyrazole-3-sulfonamide?
The IUPAC name of N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrazole-3-sulfonamide (CID 57471340) is N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrazole-3-sulfonamide is CNC1CCc2ccc(CNS(=O)(=O)c3ccn(C)n3)cc2C1Cc1ccccc1.
What is the InChIKey of N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrazole-3-sulfonamide?
The InChIKey is ZMJOEAQRUQLBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-24-22-11-10-19-9-8-18(16-25-30(28,29)23-12-13-27(2)26-23)15-20(19)21(22)14-17-6-4-3-5-7-17/h3-9,12-13,15,21-22,24-25H,10-11,14,16H2,1-2H3.
What are the key properties of N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrazole-3-sulfonamide?
N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrazole-3-sulfonamide has a molecular weight of 424.57 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 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-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 57471340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).