1-(4-chlorophenyl)sulfonyl-3-[(2-sulfamoylbenzoyl)amino]urea

C14H13ClN4O6S2 — CID 11362509

IUPAC1-(4-chlorophenyl)sulfonyl-3-[(2-sulfamoylbenzoyl)amino]urea
SMILESNS(=O)(=O)c1ccccc1C(=O)NNC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN4O6S2/c15-9-5-7-10(8-6-9)27(24,25)19-14(21)18-17-13(20)11-3-1-2-4-12(11)26(16,22)23/h1-8H,(H,17,20)(H2,16,22,23)(H2,18,19,21)
InChIKeyFZGFTQFXEIGVHL-UHFFFAOYSA-N
MW432.87 g/mol
LogP0.32
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-3-[(2-sulfamoylbenzoyl)amino]urea

1-(4-chlorophenyl)sulfonyl-3-[(2-sulfamoylbenzoyl)amino]urea (PubChem CID 11362509) has the molecular formula C14H13ClN4O6S2 and a molecular weight of 432.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-[(2-sulfamoylbenzoyl)amino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-[(2-sulfamoylbenzoyl)amino]urea
PubChem CID11362509
Molecular FormulaC14H13ClN4O6S2
Molecular Weight432.87 g/mol
Exact Mass432.00
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-[(2-sulfamoylbenzoyl)amino]urea
SMILESNS(=O)(=O)c1ccccc1C(=O)NNC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN4O6S2/c15-9-5-7-10(8-6-9)27(24,25)19-14(21)18-17-13(20)11-3-1-2-4-12(11)26(16,22)23/h1-8H,(H,17,20)(H2,16,22,23)(H2,18,19,21)
InChIKeyFZGFTQFXEIGVHL-UHFFFAOYSA-N
XLogP0.32
TPSA164.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.87
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-(4-chlorophenyl)sulfonyl-3-[(2-sulfamoylbenzoyl)amino]urea?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-[(2-sulfamoylbenzoyl)amino]urea (CID 11362509) is 1-(4-chlorophenyl)sulfonyl-3-[(2-sulfamoylbenzoyl)amino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-[(2-sulfamoylbenzoyl)amino]urea?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-[(2-sulfamoylbenzoyl)amino]urea is NS(=O)(=O)c1ccccc1C(=O)NNC(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-[(2-sulfamoylbenzoyl)amino]urea?
The InChIKey is FZGFTQFXEIGVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O6S2/c15-9-5-7-10(8-6-9)27(24,25)19-14(21)18-17-13(20)11-3-1-2-4-12(11)26(16,22)23/h1-8H,(H,17,20)(H2,16,22,23)(H2,18,19,21).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-[(2-sulfamoylbenzoyl)amino]urea?
1-(4-chlorophenyl)sulfonyl-3-[(2-sulfamoylbenzoyl)amino]urea has a molecular weight of 432.87 g/mol, XLogP of 0.32, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3-[(2-sulfamoylbenzoyl)amino]urea is sourced from PubChem (CID 11362509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).