1-(4-aminophenyl)sulfonyl-3-ethylurea

C9H13N3O3S — CID 116645895

IUPAC1-(4-aminophenyl)sulfonyl-3-ethylurea
SMILESCCNC(=O)NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C9H13N3O3S/c1-2-11-9(13)12-16(14,15)8-5-3-7(10)4-6-8/h3-6H,2,10H2,1H3,(H2,11,12,13)
InChIKeyAIAXVXWAPYVFFO-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.28
Rot. Bonds3

About 1-(4-aminophenyl)sulfonyl-3-ethylurea

1-(4-aminophenyl)sulfonyl-3-ethylurea (PubChem CID 116645895) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 1-(4-aminophenyl)sulfonyl-3-ethylurea.

Molecular Properties

Compound Name1-(4-aminophenyl)sulfonyl-3-ethylurea
PubChem CID116645895
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name1-(4-aminophenyl)sulfonyl-3-ethylurea
SMILESCCNC(=O)NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C9H13N3O3S/c1-2-11-9(13)12-16(14,15)8-5-3-7(10)4-6-8/h3-6H,2,10H2,1H3,(H2,11,12,13)
InChIKeyAIAXVXWAPYVFFO-UHFFFAOYSA-N
XLogP0.28
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)sulfonyl-3-propylurea
CID 71447062
1-(4-aminophenyl)sulfonyl-3-pentylurea
CID 40714265
1-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylurea
CID 116645965
1-(4-amino-3-bromophenyl)sulfonyl-3-ethylurea
CID 116645966
N-(4-aminophenyl)sulfonyl-2-methylbutanamide
CID 166288677
N-(4-aminophenyl)sulfonylacetamide;N,N-diethylethanamine
CID 175178486
1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea
CID 12795529
potassium methyl N-(4-aminophenyl)sulfonylcarbamate
CID 20981828
[2-[(4-aminophenyl)sulfonylamino]-2-oxoethyl]-trimethylazanium chloride
CID 45266164
4-amino-N-ethylbenzenesulfonamide;molecular hydrogen
CID 143629087
2-(4-aminophenyl)sulfonyl-N-ethylpropanamide
CID 61366686
2-[(4-aminophenyl)sulfonylamino]butanoic acid
CID 71945727

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)sulfonyl-3-ethylurea?
The IUPAC name of 1-(4-aminophenyl)sulfonyl-3-ethylurea (CID 116645895) is 1-(4-aminophenyl)sulfonyl-3-ethylurea.
What is the SMILES notation for 1-(4-aminophenyl)sulfonyl-3-ethylurea?
The canonical SMILES for 1-(4-aminophenyl)sulfonyl-3-ethylurea is CCNC(=O)NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)sulfonyl-3-ethylurea?
The InChIKey is AIAXVXWAPYVFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-2-11-9(13)12-16(14,15)8-5-3-7(10)4-6-8/h3-6H,2,10H2,1H3,(H2,11,12,13).
What are the key properties of 1-(4-aminophenyl)sulfonyl-3-ethylurea?
1-(4-aminophenyl)sulfonyl-3-ethylurea has a molecular weight of 243.29 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)sulfonyl-3-ethylurea is sourced from PubChem (CID 116645895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).