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

C12H19N3O3S — CID 40714265

IUPAC1-(4-aminophenyl)sulfonyl-3-pentylurea
SMILESCCCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H19N3O3S/c1-2-3-4-9-14-12(16)15-19(17,18)11-7-5-10(13)6-8-11/h5-8H,2-4,9,13H2,1H3,(H2,14,15,16)
InChIKeyIGWKOCAYTAPPJC-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.45
Rot. Bonds6

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

1-(4-aminophenyl)sulfonyl-3-pentylurea (PubChem CID 40714265) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-(4-aminophenyl)sulfonyl-3-pentylurea.

Molecular Properties

Compound Name1-(4-aminophenyl)sulfonyl-3-pentylurea
PubChem CID40714265
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name1-(4-aminophenyl)sulfonyl-3-pentylurea
SMILESCCCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H19N3O3S/c1-2-3-4-9-14-12(16)15-19(17,18)11-7-5-10(13)6-8-11/h5-8H,2-4,9,13H2,1H3,(H2,14,15,16)
InChIKeyIGWKOCAYTAPPJC-UHFFFAOYSA-N
XLogP1.45
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)sulfonyl-3-propylurea
CID 71447062
1-(4-methylphenyl)sulfonyl-3-tetradecylurea
CID 21459633
1-(benzenesulfonyl)-3-pentylurea
CID 70503180
1-(4-chlorophenyl)sulfonyl-3-hexylurea
CID 119056344
1-(4-aminophenyl)sulfonyl-3-ethylurea
CID 116645895
zinc 1-butyl-3-(4-methylphenyl)sulfonylurea
CID 54606239
1-(4-amino-3-bromophenyl)sulfonyl-3-butylurea
CID 116645809
N-(4-aminophenyl)sulfonyloctadecanamide;sulfane;sulfuric acid
CID 70524364
N-(4-aminophenyl)sulfonyloctadecanamide;titanium
CID 87794526
1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea
CID 12795529
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161
1-(5-amino-2-bromophenyl)sulfonyl-3-butylurea
CID 116645811

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)sulfonyl-3-pentylurea?
The IUPAC name of 1-(4-aminophenyl)sulfonyl-3-pentylurea (CID 40714265) is 1-(4-aminophenyl)sulfonyl-3-pentylurea.
What is the SMILES notation for 1-(4-aminophenyl)sulfonyl-3-pentylurea?
The canonical SMILES for 1-(4-aminophenyl)sulfonyl-3-pentylurea is CCCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)sulfonyl-3-pentylurea?
The InChIKey is IGWKOCAYTAPPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-2-3-4-9-14-12(16)15-19(17,18)11-7-5-10(13)6-8-11/h5-8H,2-4,9,13H2,1H3,(H2,14,15,16).
What are the key properties of 1-(4-aminophenyl)sulfonyl-3-pentylurea?
1-(4-aminophenyl)sulfonyl-3-pentylurea has a molecular weight of 285.37 g/mol, XLogP of 1.45, 6 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-pentylurea is sourced from PubChem (CID 40714265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).