1-(benzenesulfonyl)-3-[(2-sulfamoylbenzoyl)amino]urea

C14H14N4O6S2 — CID 11188711

IUPAC1-(benzenesulfonyl)-3-[(2-sulfamoylbenzoyl)amino]urea
SMILESNS(=O)(=O)c1ccccc1C(=O)NNC(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14N4O6S2/c15-25(21,22)12-9-5-4-8-11(12)13(19)16-17-14(20)18-26(23,24)10-6-2-1-3-7-10/h1-9H,(H,16,19)(H2,15,21,22)(H2,17,18,20)
InChIKeyPPTFPBWHAOAFBS-UHFFFAOYSA-N
MW398.42 g/mol
LogP-0.33
Rot. Bonds4

About 1-(benzenesulfonyl)-3-[(2-sulfamoylbenzoyl)amino]urea

1-(benzenesulfonyl)-3-[(2-sulfamoylbenzoyl)amino]urea (PubChem CID 11188711) has the molecular formula C14H14N4O6S2 and a molecular weight of 398.42 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-[(2-sulfamoylbenzoyl)amino]urea.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-[(2-sulfamoylbenzoyl)amino]urea
PubChem CID11188711
Molecular FormulaC14H14N4O6S2
Molecular Weight398.42 g/mol
Exact Mass398.04
IUPAC Name1-(benzenesulfonyl)-3-[(2-sulfamoylbenzoyl)amino]urea
SMILESNS(=O)(=O)c1ccccc1C(=O)NNC(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14N4O6S2/c15-25(21,22)12-9-5-4-8-11(12)13(19)16-17-14(20)18-26(23,24)10-6-2-1-3-7-10/h1-9H,(H,16,19)(H2,15,21,22)(H2,17,18,20)
InChIKeyPPTFPBWHAOAFBS-UHFFFAOYSA-N
XLogP-0.33
TPSA164.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(benzenesulfonyl)-3-[(2-sulfamoylbenzoyl)amino]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-[(2-sulfamoylbenzoyl)amino]urea?
The IUPAC name of 1-(benzenesulfonyl)-3-[(2-sulfamoylbenzoyl)amino]urea (CID 11188711) is 1-(benzenesulfonyl)-3-[(2-sulfamoylbenzoyl)amino]urea.
What is the SMILES notation for 1-(benzenesulfonyl)-3-[(2-sulfamoylbenzoyl)amino]urea?
The canonical SMILES for 1-(benzenesulfonyl)-3-[(2-sulfamoylbenzoyl)amino]urea is NS(=O)(=O)c1ccccc1C(=O)NNC(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-3-[(2-sulfamoylbenzoyl)amino]urea?
The InChIKey is PPTFPBWHAOAFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O6S2/c15-25(21,22)12-9-5-4-8-11(12)13(19)16-17-14(20)18-26(23,24)10-6-2-1-3-7-10/h1-9H,(H,16,19)(H2,15,21,22)(H2,17,18,20).
What are the key properties of 1-(benzenesulfonyl)-3-[(2-sulfamoylbenzoyl)amino]urea?
1-(benzenesulfonyl)-3-[(2-sulfamoylbenzoyl)amino]urea has a molecular weight of 398.42 g/mol, XLogP of -0.33, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-[(2-sulfamoylbenzoyl)amino]urea is sourced from PubChem (CID 11188711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).