potassium methyl N-(4-aminophenyl)sulfonylcarbamate

C8H10KN2O4S+ — CID 20981828

IUPACpotassium methyl N-(4-aminophenyl)sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)c1ccc(N)cc1.[K+]
InChIInChI=1S/C8H10N2O4S.K/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7;/h2-5H,9H2,1H3,(H,10,11);/q;+1
InChIKeyWKJOGZIRDGAEFO-UHFFFAOYSA-N
MW269.34 g/mol
LogP-2.68
Rot. Bonds2

About potassium methyl N-(4-aminophenyl)sulfonylcarbamate

potassium methyl N-(4-aminophenyl)sulfonylcarbamate (PubChem CID 20981828) has the molecular formula C8H10KN2O4S+ and a molecular weight of 269.34 g/mol. Its IUPAC name is potassium methyl N-(4-aminophenyl)sulfonylcarbamate.

Molecular Properties

Compound Namepotassium methyl N-(4-aminophenyl)sulfonylcarbamate
PubChem CID20981828
Molecular FormulaC8H10KN2O4S+
Molecular Weight269.34 g/mol
Exact Mass269.00
IUPAC Namepotassium methyl N-(4-aminophenyl)sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)c1ccc(N)cc1.[K+]
InChIInChI=1S/C8H10N2O4S.K/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7;/h2-5H,9H2,1H3,(H,10,11);/q;+1
InChIKeyWKJOGZIRDGAEFO-UHFFFAOYSA-N
XLogP-2.68
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-2.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(benzenesulfonyl)carbamate
CID 676519
N-(4-aminophenyl)sulfonyl-4-methoxybenzamide
CID 90673049
1-(4-aminophenyl)sulfonyl-3-ethylurea
CID 116645895
[2-[(4-aminophenyl)sulfonylamino]-2-oxoethyl]-trimethylazanium chloride
CID 45266164
N-(4-aminophenyl)sulfonyl-2-methylbutanamide
CID 166288677
methyl N-thiophen-3-ylsulfonylcarbamate
CID 23445473
N-(4-aminophenyl)sulfonylacetamide;N,N-diethylethanamine
CID 175178486
1-(4-aminophenyl)sulfonyl-3-propylurea
CID 71447062
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoyl]amino]propanoyl]amino]propanoic acid;methyl N-(4-aminophenyl)sulfonylcarbamate
CID 135378810
methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955213
sulfamoyl N-(4-methylphenyl)sulfonylcarbamate
CID 10017321
ethyl N-(4-fluorophenyl)sulfonylcarbamate
CID 19693765

Frequently Asked Questions

What is the IUPAC name of potassium methyl N-(4-aminophenyl)sulfonylcarbamate?
The IUPAC name of potassium methyl N-(4-aminophenyl)sulfonylcarbamate (CID 20981828) is potassium methyl N-(4-aminophenyl)sulfonylcarbamate.
What is the SMILES notation for potassium methyl N-(4-aminophenyl)sulfonylcarbamate?
The canonical SMILES for potassium methyl N-(4-aminophenyl)sulfonylcarbamate is COC(=O)NS(=O)(=O)c1ccc(N)cc1.[K+].
What is the InChIKey of potassium methyl N-(4-aminophenyl)sulfonylcarbamate?
The InChIKey is WKJOGZIRDGAEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S.K/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7;/h2-5H,9H2,1H3,(H,10,11);/q;+1.
What are the key properties of potassium methyl N-(4-aminophenyl)sulfonylcarbamate?
potassium methyl N-(4-aminophenyl)sulfonylcarbamate has a molecular weight of 269.34 g/mol, XLogP of -2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium methyl N-(4-aminophenyl)sulfonylcarbamate is sourced from PubChem (CID 20981828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).