1-(benzenesulfonamido)-3-(4-sulfamoylphenyl)urea

C13H14N4O5S2 — CID 118710598

IUPAC1-(benzenesulfonamido)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C13H14N4O5S2/c14-23(19,20)11-8-6-10(7-9-11)15-13(18)16-17-24(21,22)12-4-2-1-3-5-12/h1-9,17H,(H2,14,19,20)(H2,15,16,18)
InChIKeyRPRQANPMHNCYGO-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.35
Rot. Bonds5

About 1-(benzenesulfonamido)-3-(4-sulfamoylphenyl)urea

1-(benzenesulfonamido)-3-(4-sulfamoylphenyl)urea (PubChem CID 118710598) has the molecular formula C13H14N4O5S2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-(benzenesulfonamido)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(benzenesulfonamido)-3-(4-sulfamoylphenyl)urea
PubChem CID118710598
Molecular FormulaC13H14N4O5S2
Molecular Weight370.41 g/mol
Exact Mass370.04
IUPAC Name1-(benzenesulfonamido)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C13H14N4O5S2/c14-23(19,20)11-8-6-10(7-9-11)15-13(18)16-17-24(21,22)12-4-2-1-3-5-12/h1-9,17H,(H2,14,19,20)(H2,15,16,18)
InChIKeyRPRQANPMHNCYGO-UHFFFAOYSA-N
XLogP0.35
TPSA147.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonamido)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(benzenesulfonamido)-3-(4-sulfamoylphenyl)urea (CID 118710598) is 1-(benzenesulfonamido)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(benzenesulfonamido)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(benzenesulfonamido)-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(benzenesulfonamido)-3-(4-sulfamoylphenyl)urea?
The InChIKey is RPRQANPMHNCYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O5S2/c14-23(19,20)11-8-6-10(7-9-11)15-13(18)16-17-24(21,22)12-4-2-1-3-5-12/h1-9,17H,(H2,14,19,20)(H2,15,16,18).
What are the key properties of 1-(benzenesulfonamido)-3-(4-sulfamoylphenyl)urea?
1-(benzenesulfonamido)-3-(4-sulfamoylphenyl)urea has a molecular weight of 370.41 g/mol, XLogP of 0.35, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonamido)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 118710598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).