N-(4-aminophenyl)sulfonylacetamide;N,N-diethylethanamine

C14H25N3O3S — CID 175178486

IUPACN-(4-aminophenyl)sulfonylacetamide;N,N-diethylethanamine
SMILESCC(=O)NS(=O)(=O)c1ccc(N)cc1.CCN(CC)CC
InChIInChI=1S/C8H10N2O3S.C6H15N/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;1-4-7(5-2)6-3/h2-5H,9H2,1H3,(H,10,11);4-6H2,1-3H3
InChIKeyYUNBTTMZYKCDFM-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.44
Rot. Bonds5

About N-(4-aminophenyl)sulfonylacetamide;N,N-diethylethanamine

N-(4-aminophenyl)sulfonylacetamide;N,N-diethylethanamine (PubChem CID 175178486) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(4-aminophenyl)sulfonylacetamide;N,N-diethylethanamine.

Molecular Properties

Compound NameN-(4-aminophenyl)sulfonylacetamide;N,N-diethylethanamine
PubChem CID175178486
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC NameN-(4-aminophenyl)sulfonylacetamide;N,N-diethylethanamine
SMILESCC(=O)NS(=O)(=O)c1ccc(N)cc1.CCN(CC)CC
InChIInChI=1S/C8H10N2O3S.C6H15N/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;1-4-7(5-2)6-3/h2-5H,9H2,1H3,(H,10,11);4-6H2,1-3H3
InChIKeyYUNBTTMZYKCDFM-UHFFFAOYSA-N
XLogP1.44
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.44
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

N-[4-(diethylsulfamoyl)phenyl]sulfonylacetamide
CID 154139337
N-(4-aminophenyl)sulfonylacetamide;didecyl(dimethyl)azanium
CID 69295519
1-(4-aminophenyl)sulfonyl-3-ethylurea
CID 116645895
N-(4-aminophenyl)sulfonyl-2-methylbutanamide
CID 166288677
1-(4-aminophenyl)sulfonyl-3-propylurea
CID 71447062
N-(4-chlorophenyl)sulfonylacetamide
CID 139084564
potassium methyl N-(4-aminophenyl)sulfonylcarbamate
CID 20981828
[2-[(4-aminophenyl)sulfonylamino]-2-oxoethyl]-trimethylazanium chloride
CID 45266164
4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 110454407
1-(4-aminophenyl)sulfonyl-3-pentylurea
CID 40714265
N-(4-aminophenyl)sulfonyloctadecanamide;titanium
CID 87794526
N-(4-aminophenyl)sulfonyloctadecanamide;sulfane;sulfuric acid
CID 70524364

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)sulfonylacetamide;N,N-diethylethanamine?
The IUPAC name of N-(4-aminophenyl)sulfonylacetamide;N,N-diethylethanamine (CID 175178486) is N-(4-aminophenyl)sulfonylacetamide;N,N-diethylethanamine.
What is the SMILES notation for N-(4-aminophenyl)sulfonylacetamide;N,N-diethylethanamine?
The canonical SMILES for N-(4-aminophenyl)sulfonylacetamide;N,N-diethylethanamine is CC(=O)NS(=O)(=O)c1ccc(N)cc1.CCN(CC)CC.
What is the InChIKey of N-(4-aminophenyl)sulfonylacetamide;N,N-diethylethanamine?
The InChIKey is YUNBTTMZYKCDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S.C6H15N/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;1-4-7(5-2)6-3/h2-5H,9H2,1H3,(H,10,11);4-6H2,1-3H3.
What are the key properties of N-(4-aminophenyl)sulfonylacetamide;N,N-diethylethanamine?
N-(4-aminophenyl)sulfonylacetamide;N,N-diethylethanamine has a molecular weight of 315.44 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)sulfonylacetamide;N,N-diethylethanamine is sourced from PubChem (CID 175178486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).