N'-[[6-(benzenesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N,N-dimethylethanimidamide

C21H27N3O2S — CID 68836798

IUPACN'-[[6-(benzenesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N,N-dimethylethanimidamide
SMILESC/C(=N\CC1CCCc2cc(NS(=O)(=O)c3ccccc3)ccc21)N(C)C
InChIInChI=1S/C21H27N3O2S/c1-16(24(2)3)22-15-18-9-7-8-17-14-19(12-13-21(17)18)23-27(25,26)20-10-5-4-6-11-20/h4-6,10-14,18,23H,7-9,15H2,1-3H3/b22-16+
InChIKeyRZJGHANIDMKOHY-CJLVFECKSA-N
MW385.53 g/mol
LogP3.89
Rot. Bonds5

About N'-[[6-(benzenesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N,N-dimethylethanimidamide

N'-[[6-(benzenesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N,N-dimethylethanimidamide (PubChem CID 68836798) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N'-[[6-(benzenesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-[[6-(benzenesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N,N-dimethylethanimidamide
PubChem CID68836798
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN'-[[6-(benzenesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N,N-dimethylethanimidamide
SMILESC/C(=N\CC1CCCc2cc(NS(=O)(=O)c3ccccc3)ccc21)N(C)C
InChIInChI=1S/C21H27N3O2S/c1-16(24(2)3)22-15-18-9-7-8-17-14-19(12-13-21(17)18)23-27(25,26)20-10-5-4-6-11-20/h4-6,10-14,18,23H,7-9,15H2,1-3H3/b22-16+
InChIKeyRZJGHANIDMKOHY-CJLVFECKSA-N
XLogP3.89
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[(5S)-5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
CID 68830238
1,1,3,3-tetramethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111064684
2-[[5-(benzenesulfonamidomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 19837465
5-benzyl-8-[(4-phenylphenyl)sulfonylamino]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid
CID 67221545
N-[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfamoyl)phenyl]acetamide
CID 42949923
N-[5-[(3-phenylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide;hydrochloride
CID 67913410
N-[[7-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 24798449
3-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N'-[[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-(diaminomethylideneamino)propanimidamide
CID 123672383
3-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]sulfamoyl]-4-methoxybenzoic acid
CID 100726603
3-(benzenesulfonamido)-N-[2-(dimethylamino)-2-oxoethyl]benzamide
CID 9305703
1-cyano-2-[[(1R)-6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]guanidine
CID 59021714
N-[3-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]benzenesulfonamide
CID 119931204

Frequently Asked Questions

What is the IUPAC name of N'-[[6-(benzenesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N,N-dimethylethanimidamide?
The IUPAC name of N'-[[6-(benzenesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N,N-dimethylethanimidamide (CID 68836798) is N'-[[6-(benzenesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-[[6-(benzenesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N,N-dimethylethanimidamide?
The canonical SMILES for N'-[[6-(benzenesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N,N-dimethylethanimidamide is C/C(=N\CC1CCCc2cc(NS(=O)(=O)c3ccccc3)ccc21)N(C)C.
What is the InChIKey of N'-[[6-(benzenesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N,N-dimethylethanimidamide?
The InChIKey is RZJGHANIDMKOHY-CJLVFECKSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-16(24(2)3)22-15-18-9-7-8-17-14-19(12-13-21(17)18)23-27(25,26)20-10-5-4-6-11-20/h4-6,10-14,18,23H,7-9,15H2,1-3H3/b22-16+.
What are the key properties of N'-[[6-(benzenesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N,N-dimethylethanimidamide?
N'-[[6-(benzenesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N,N-dimethylethanimidamide has a molecular weight of 385.53 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[6-(benzenesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N,N-dimethylethanimidamide is sourced from PubChem (CID 68836798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).