[4-(diethylsulfamoyl)phenyl]methylazanium

C11H19N2O2S+ — CID 7129046

IUPAC[4-(diethylsulfamoyl)phenyl]methylazanium
SMILESCCN(CC)S(=O)(=O)c1ccc(C[NH3+])cc1
InChIInChI=1S/C11H18N2O2S/c1-3-13(4-2)16(14,15)11-7-5-10(9-12)6-8-11/h5-8H,3-4,9,12H2,1-2H3/p+1
InChIKeyHRNXLBILTRMFNN-UHFFFAOYSA-O
MW243.35 g/mol
LogP0.46
Rot. Bonds5

About [4-(diethylsulfamoyl)phenyl]methylazanium

[4-(diethylsulfamoyl)phenyl]methylazanium (PubChem CID 7129046) has the molecular formula C11H19N2O2S+ and a molecular weight of 243.35 g/mol. Its IUPAC name is [4-(diethylsulfamoyl)phenyl]methylazanium.

Molecular Properties

Compound Name[4-(diethylsulfamoyl)phenyl]methylazanium
PubChem CID7129046
Molecular FormulaC11H19N2O2S+
Molecular Weight243.35 g/mol
Exact Mass243.12
IUPAC Name[4-(diethylsulfamoyl)phenyl]methylazanium
SMILESCCN(CC)S(=O)(=O)c1ccc(C[NH3+])cc1
InChIInChI=1S/C11H18N2O2S/c1-3-13(4-2)16(14,15)11-7-5-10(9-12)6-8-11/h5-8H,3-4,9,12H2,1-2H3/p+1
InChIKeyHRNXLBILTRMFNN-UHFFFAOYSA-O
XLogP0.46
TPSA65.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(diethylsulfamoyl)phenyl]azanium
CID 163754929
N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770
N,N-diethyl-4-sulfanylbenzenesulfonamide
CID 15027344
4-(dimethylamino)-N,N-diethylbenzenesulfonamide
CID 11043368
N,N-diethyl-4-trimethylsilylbenzenesulfonamide
CID 11254658
4-[[(4-aminophenyl)methylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 171536135
N,N-diethyl-4-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 30126219
N,N-diethyl-4-(N-phenylanilino)benzenesulfonamide
CID 20654617
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 8815309
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
N,N-diethyl-4-(3-thiophen-3-ylpropyl)benzenesulfonamide
CID 101025089
N-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide
CID 60823564

Frequently Asked Questions

What is the IUPAC name of [4-(diethylsulfamoyl)phenyl]methylazanium?
The IUPAC name of [4-(diethylsulfamoyl)phenyl]methylazanium (CID 7129046) is [4-(diethylsulfamoyl)phenyl]methylazanium.
What is the SMILES notation for [4-(diethylsulfamoyl)phenyl]methylazanium?
The canonical SMILES for [4-(diethylsulfamoyl)phenyl]methylazanium is CCN(CC)S(=O)(=O)c1ccc(C[NH3+])cc1.
What is the InChIKey of [4-(diethylsulfamoyl)phenyl]methylazanium?
The InChIKey is HRNXLBILTRMFNN-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H18N2O2S/c1-3-13(4-2)16(14,15)11-7-5-10(9-12)6-8-11/h5-8H,3-4,9,12H2,1-2H3/p+1.
What are the key properties of [4-(diethylsulfamoyl)phenyl]methylazanium?
[4-(diethylsulfamoyl)phenyl]methylazanium has a molecular weight of 243.35 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylsulfamoyl)phenyl]methylazanium is sourced from PubChem (CID 7129046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).