N-(4-aminophenyl)sulfonylacetamide;didecyl(dimethyl)azanium

C30H58N3O3S+ — CID 69295519

IUPACN-(4-aminophenyl)sulfonylacetamide;didecyl(dimethyl)azanium
SMILESCC(=O)NS(=O)(=O)c1ccc(N)cc1.CCCCCCCCCC[N+](C)(C)CCCCCCCCCC
InChIInChI=1S/C22H48N.C8H10N2O3S/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h5-22H2,1-4H3;2-5H,9H2,1H3,(H,10,11)/q+1;
InChIKeyNNHDVJAJIGDHJX-UHFFFAOYSA-N
MW540.88 g/mol
LogP7.44
Rot. Bonds20

About N-(4-aminophenyl)sulfonylacetamide;didecyl(dimethyl)azanium

N-(4-aminophenyl)sulfonylacetamide;didecyl(dimethyl)azanium (PubChem CID 69295519) has the molecular formula C30H58N3O3S+ and a molecular weight of 540.88 g/mol. Its IUPAC name is N-(4-aminophenyl)sulfonylacetamide;didecyl(dimethyl)azanium.

Molecular Properties

Compound NameN-(4-aminophenyl)sulfonylacetamide;didecyl(dimethyl)azanium
PubChem CID69295519
Molecular FormulaC30H58N3O3S+
Molecular Weight540.88 g/mol
Exact Mass540.42
IUPAC NameN-(4-aminophenyl)sulfonylacetamide;didecyl(dimethyl)azanium
SMILESCC(=O)NS(=O)(=O)c1ccc(N)cc1.CCCCCCCCCC[N+](C)(C)CCCCCCCCCC
InChIInChI=1S/C22H48N.C8H10N2O3S/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h5-22H2,1-4H3;2-5H,9H2,1H3,(H,10,11)/q+1;
InChIKeyNNHDVJAJIGDHJX-UHFFFAOYSA-N
XLogP7.44
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.88
LogP ≤ 57.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)sulfonylacetamide;N,N-diethylethanamine
CID 175178486
N-(4-aminophenyl)sulfonyloctadecanamide;sulfane;sulfuric acid
CID 70524364
N-(4-aminophenyl)sulfonyloctadecanamide;titanium
CID 87794526
1-(4-aminophenyl)sulfonyl-3-pentylurea
CID 40714265
[2-[(4-aminophenyl)sulfonylamino]-2-oxoethyl]-trimethylazanium chloride
CID 45266164
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161
dimethyl(dioctadecyl)azanium;methanesulfonic acid
CID 18186056
1-(4-aminophenyl)sulfonyl-3-propylurea
CID 71447062
1-(4-aminophenyl)sulfonyl-3-ethylurea
CID 116645895
didecyl(dimethyl)azanium;hydrogen sulfate
CID 11618701
dimethyl(dioctadecyl)azanium;sulfuric acid
CID 87145734
didecyl(dimethyl)azanium sulfate
CID 21195390

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)sulfonylacetamide;didecyl(dimethyl)azanium?
The IUPAC name of N-(4-aminophenyl)sulfonylacetamide;didecyl(dimethyl)azanium (CID 69295519) is N-(4-aminophenyl)sulfonylacetamide;didecyl(dimethyl)azanium.
What is the SMILES notation for N-(4-aminophenyl)sulfonylacetamide;didecyl(dimethyl)azanium?
The canonical SMILES for N-(4-aminophenyl)sulfonylacetamide;didecyl(dimethyl)azanium is CC(=O)NS(=O)(=O)c1ccc(N)cc1.CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.
What is the InChIKey of N-(4-aminophenyl)sulfonylacetamide;didecyl(dimethyl)azanium?
The InChIKey is NNHDVJAJIGDHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N.C8H10N2O3S/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h5-22H2,1-4H3;2-5H,9H2,1H3,(H,10,11)/q+1;.
What are the key properties of N-(4-aminophenyl)sulfonylacetamide;didecyl(dimethyl)azanium?
N-(4-aminophenyl)sulfonylacetamide;didecyl(dimethyl)azanium has a molecular weight of 540.88 g/mol, XLogP of 7.44, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)sulfonylacetamide;didecyl(dimethyl)azanium is sourced from PubChem (CID 69295519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).