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

C10H15N3O3S — CID 71447062

IUPAC1-(4-aminophenyl)sulfonyl-3-propylurea
SMILESCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H15N3O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7,11H2,1H3,(H2,12,13,14)
InChIKeyDVTMYRYNKDVZQD-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.67
Rot. Bonds4

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

1-(4-aminophenyl)sulfonyl-3-propylurea (PubChem CID 71447062) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-(4-aminophenyl)sulfonyl-3-propylurea.

Molecular Properties

Compound Name1-(4-aminophenyl)sulfonyl-3-propylurea
PubChem CID71447062
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name1-(4-aminophenyl)sulfonyl-3-propylurea
SMILESCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H15N3O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7,11H2,1H3,(H2,12,13,14)
InChIKeyDVTMYRYNKDVZQD-UHFFFAOYSA-N
XLogP0.67
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.67
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-pentylurea
CID 40714265
1-(4-aminophenyl)sulfonyl-3-ethylurea
CID 116645895
1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea
CID 12795529
zinc 1-butyl-3-(4-methylphenyl)sulfonylurea
CID 54606239
1-(4-methylphenyl)sulfonyl-3-tetradecylurea
CID 21459633
1-(benzenesulfonyl)-3-pentylurea
CID 70503180
1-(4-chlorophenyl)sulfonyl-3-hexylurea
CID 119056344
1-(4-amino-3-bromophenyl)sulfonyl-3-butylurea
CID 116645809
1-(3-amino-5-chloro-4-methylphenyl)sulfonyl-3-propylurea
CID 116645883
N-(4-aminophenyl)sulfonyl-2-methylbutanamide
CID 166288677
1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea
CID 116645872
N-(4-aminophenyl)sulfonylacetamide;N,N-diethylethanamine
CID 175178486

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)sulfonyl-3-propylurea?
The IUPAC name of 1-(4-aminophenyl)sulfonyl-3-propylurea (CID 71447062) is 1-(4-aminophenyl)sulfonyl-3-propylurea.
What is the SMILES notation for 1-(4-aminophenyl)sulfonyl-3-propylurea?
The canonical SMILES for 1-(4-aminophenyl)sulfonyl-3-propylurea is CCCNC(=O)NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)sulfonyl-3-propylurea?
The InChIKey is DVTMYRYNKDVZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7,11H2,1H3,(H2,12,13,14).
What are the key properties of 1-(4-aminophenyl)sulfonyl-3-propylurea?
1-(4-aminophenyl)sulfonyl-3-propylurea has a molecular weight of 257.31 g/mol, XLogP of 0.67, 4 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-propylurea is sourced from PubChem (CID 71447062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).