1-phenyl-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea

C15H18N4O5S2 — CID 155289400

IUPAC1-phenyl-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)CCNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H18N4O5S2/c16-26(23,24)14-8-6-13(7-9-14)19-25(21,22)11-10-17-15(20)18-12-4-2-1-3-5-12/h1-9,19H,10-11H2,(H2,16,23,24)(H2,17,18,20)
InChIKeyJWGFBEXNOWIWRP-UHFFFAOYSA-N
MW398.47 g/mol
LogP0.90
Rot. Bonds7

About 1-phenyl-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea

1-phenyl-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea (PubChem CID 155289400) has the molecular formula C15H18N4O5S2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-phenyl-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea
PubChem CID155289400
Molecular FormulaC15H18N4O5S2
Molecular Weight398.47 g/mol
Exact Mass398.07
IUPAC Name1-phenyl-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)CCNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H18N4O5S2/c16-26(23,24)14-8-6-13(7-9-14)19-25(21,22)11-10-17-15(20)18-12-4-2-1-3-5-12/h1-9,19H,10-11H2,(H2,16,23,24)(H2,17,18,20)
InChIKeyJWGFBEXNOWIWRP-UHFFFAOYSA-N
XLogP0.90
TPSA147.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea?
The IUPAC name of 1-phenyl-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea (CID 155289400) is 1-phenyl-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea.
What is the SMILES notation for 1-phenyl-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea?
The canonical SMILES for 1-phenyl-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea is NS(=O)(=O)c1ccc(NS(=O)(=O)CCNC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-phenyl-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea?
The InChIKey is JWGFBEXNOWIWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5S2/c16-26(23,24)14-8-6-13(7-9-14)19-25(21,22)11-10-17-15(20)18-12-4-2-1-3-5-12/h1-9,19H,10-11H2,(H2,16,23,24)(H2,17,18,20).
What are the key properties of 1-phenyl-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea?
1-phenyl-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea has a molecular weight of 398.47 g/mol, XLogP of 0.90, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea is sourced from PubChem (CID 155289400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).