1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea

C16H19N3O3S — CID 110293756

IUPAC1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea
SMILESNS(=O)(=O)c1ccc(CCCNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H19N3O3S/c17-23(21,22)15-10-8-13(9-11-15)5-4-12-18-16(20)19-14-6-2-1-3-7-14/h1-3,6-11H,4-5,12H2,(H2,17,21,22)(H2,18,19,20)
InChIKeyIHROVTISFRSNOZ-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.09
Rot. Bonds6

About 1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea

1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea (PubChem CID 110293756) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea
PubChem CID110293756
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea
SMILESNS(=O)(=O)c1ccc(CCCNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H19N3O3S/c17-23(21,22)15-10-8-13(9-11-15)5-4-12-18-16(20)19-14-6-2-1-3-7-14/h1-3,6-11H,4-5,12H2,(H2,17,21,22)(H2,18,19,20)
InChIKeyIHROVTISFRSNOZ-UHFFFAOYSA-N
XLogP2.09
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 118398414
N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108989678
1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
1-(3-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1203825
1-(4-phenylphenyl)-3-(3-phenylpropyl)urea
CID 108867243
2-methylidene-5-[(4-sulfamoylphenyl)carbamoylamino]pentanoic acid
CID 90311544
2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110293759
2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 60905744
2,2-dimethyl-N-phenyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108965001
1-(3-methylsulfanylphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 25041397
1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 25040507
3-(phenylcarbamoylamino)propane-1-sulfonic acid
CID 88585167

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea?
The IUPAC name of 1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea (CID 110293756) is 1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea.
What is the SMILES notation for 1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea?
The canonical SMILES for 1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea is NS(=O)(=O)c1ccc(CCCNC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea?
The InChIKey is IHROVTISFRSNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c17-23(21,22)15-10-8-13(9-11-15)5-4-12-18-16(20)19-14-6-2-1-3-7-14/h1-3,6-11H,4-5,12H2,(H2,17,21,22)(H2,18,19,20).
What are the key properties of 1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea?
1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea has a molecular weight of 333.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea is sourced from PubChem (CID 110293756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).