[2-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium

C21H30N3O3S+ — CID 9073364

IUPAC[2-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium
SMILESCC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C21H29N3O3S/c1-5-24(6-2)16-19-10-8-7-9-18(19)15-22-21(25)17-11-13-20(14-12-17)28(26,27)23(3)4/h7-14H,5-6,15-16H2,1-4H3,(H,22,25)/p+1
InChIKeyLNEZLOGTOIKVRB-UHFFFAOYSA-O
MW404.56 g/mol
LogP1.29
Rot. Bonds9

About [2-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium

[2-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium (PubChem CID 9073364) has the molecular formula C21H30N3O3S+ and a molecular weight of 404.56 g/mol. Its IUPAC name is [2-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium.

Molecular Properties

Compound Name[2-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium
PubChem CID9073364
Molecular FormulaC21H30N3O3S+
Molecular Weight404.56 g/mol
Exact Mass404.20
IUPAC Name[2-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium
SMILESCC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C21H29N3O3S/c1-5-24(6-2)16-19-10-8-7-9-18(19)15-22-21(25)17-11-13-20(14-12-17)28(26,27)23(3)4/h7-14H,5-6,15-16H2,1-4H3,(H,22,25)/p+1
InChIKeyLNEZLOGTOIKVRB-UHFFFAOYSA-O
XLogP1.29
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl]methyl-diethylazanium
CID 9073183
4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
CID 110779528
[4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 9194509
[4-[[[3-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium
CID 8947695
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide
CID 24550322
diethyl-[[2-[[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]methyl]phenyl]methyl]azanium
CID 9073334
diethyl-[[2-[[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]methyl]phenyl]methyl]azanium
CID 9073963
4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide
CID 38294565
4-[methoxy(methyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 8927243
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166
diethyl-[[2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium
CID 9074333
4-(dimethylsulfamoyl)-N-[2-(2-propylphenoxy)ethyl]benzamide
CID 38113944

Frequently Asked Questions

What is the IUPAC name of [2-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium?
The IUPAC name of [2-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium (CID 9073364) is [2-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium.
What is the SMILES notation for [2-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium?
The canonical SMILES for [2-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium is CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of [2-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium?
The InChIKey is LNEZLOGTOIKVRB-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H29N3O3S/c1-5-24(6-2)16-19-10-8-7-9-18(19)15-22-21(25)17-11-13-20(14-12-17)28(26,27)23(3)4/h7-14H,5-6,15-16H2,1-4H3,(H,22,25)/p+1.
What are the key properties of [2-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium?
[2-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium has a molecular weight of 404.56 g/mol, XLogP of 1.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium is sourced from PubChem (CID 9073364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).