[2-[(4-aminophenyl)sulfonylamino]-2-oxoethyl]-trimethylazanium chloride

C11H18ClN3O3S — CID 45266164

IUPAC[2-[(4-aminophenyl)sulfonylamino]-2-oxoethyl]-trimethylazanium chloride
SMILESC[N+](C)(C)CC(=O)NS(=O)(=O)c1ccc(N)cc1.[Cl-]
InChIInChI=1S/C11H17N3O3S.ClH/c1-14(2,3)8-11(15)13-18(16,17)10-6-4-9(12)5-7-10;/h4-7H,8,12H2,1-3H3;1H
InChIKeyMDKDFDFUGVAOLV-UHFFFAOYSA-N
MW307.80 g/mol
LogP-3.22
Rot. Bonds4

About [2-[(4-aminophenyl)sulfonylamino]-2-oxoethyl]-trimethylazanium chloride

[2-[(4-aminophenyl)sulfonylamino]-2-oxoethyl]-trimethylazanium chloride (PubChem CID 45266164) has the molecular formula C11H18ClN3O3S and a molecular weight of 307.80 g/mol. Its IUPAC name is [2-[(4-aminophenyl)sulfonylamino]-2-oxoethyl]-trimethylazanium chloride.

Molecular Properties

Compound Name[2-[(4-aminophenyl)sulfonylamino]-2-oxoethyl]-trimethylazanium chloride
PubChem CID45266164
Molecular FormulaC11H18ClN3O3S
Molecular Weight307.80 g/mol
Exact Mass307.08
IUPAC Name[2-[(4-aminophenyl)sulfonylamino]-2-oxoethyl]-trimethylazanium chloride
SMILESC[N+](C)(C)CC(=O)NS(=O)(=O)c1ccc(N)cc1.[Cl-]
InChIInChI=1S/C11H17N3O3S.ClH/c1-14(2,3)8-11(15)13-18(16,17)10-6-4-9(12)5-7-10;/h4-7H,8,12H2,1-3H3;1H
InChIKeyMDKDFDFUGVAOLV-UHFFFAOYSA-N
XLogP-3.22
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 5-3.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminophenyl)sulfonyloctadecanamide;sulfane;sulfuric acid
CID 70524364
N-(4-aminophenyl)sulfonyloctadecanamide;titanium
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1-(4-aminophenyl)sulfonyl-3-ethylurea
CID 116645895
potassium methyl N-(4-aminophenyl)sulfonylcarbamate
CID 20981828
N-(4-aminophenyl)sulfonyl-2-methylbutanamide
CID 166288677
N-(4-aminophenyl)sulfonylacetamide;N,N-diethylethanamine
CID 175178486
1-(4-aminophenyl)sulfonyl-3-propylurea
CID 71447062
N-(4-aminophenyl)sulfonylacetamide;didecyl(dimethyl)azanium
CID 69295519
4-amino-N-pyrimidin-2-ylbenzenesulfonamide;2-hydroxyethyl(trimethyl)azanium
CID 175029093
N-(6-aminonaphthalen-2-yl)sulfonylpropanamide
CID 15120818
1-(4-aminophenyl)sulfonyl-3-pentylurea
CID 40714265
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969

Frequently Asked Questions

What is the IUPAC name of [2-[(4-aminophenyl)sulfonylamino]-2-oxoethyl]-trimethylazanium chloride?
The IUPAC name of [2-[(4-aminophenyl)sulfonylamino]-2-oxoethyl]-trimethylazanium chloride (CID 45266164) is [2-[(4-aminophenyl)sulfonylamino]-2-oxoethyl]-trimethylazanium chloride.
What is the SMILES notation for [2-[(4-aminophenyl)sulfonylamino]-2-oxoethyl]-trimethylazanium chloride?
The canonical SMILES for [2-[(4-aminophenyl)sulfonylamino]-2-oxoethyl]-trimethylazanium chloride is C[N+](C)(C)CC(=O)NS(=O)(=O)c1ccc(N)cc1.[Cl-].
What is the InChIKey of [2-[(4-aminophenyl)sulfonylamino]-2-oxoethyl]-trimethylazanium chloride?
The InChIKey is MDKDFDFUGVAOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S.ClH/c1-14(2,3)8-11(15)13-18(16,17)10-6-4-9(12)5-7-10;/h4-7H,8,12H2,1-3H3;1H.
What are the key properties of [2-[(4-aminophenyl)sulfonylamino]-2-oxoethyl]-trimethylazanium chloride?
[2-[(4-aminophenyl)sulfonylamino]-2-oxoethyl]-trimethylazanium chloride has a molecular weight of 307.80 g/mol, XLogP of -3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-aminophenyl)sulfonylamino]-2-oxoethyl]-trimethylazanium chloride is sourced from PubChem (CID 45266164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).