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

C14H13ClN4O6S2 — CID 11396353

IUPAC1-(4-chlorophenyl)sulfonyl-3-[(4-sulfamoylbenzoyl)amino]urea
SMILESNS(=O)(=O)c1ccc(C(=O)NNC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN4O6S2/c15-10-3-7-12(8-4-10)27(24,25)19-14(21)18-17-13(20)9-1-5-11(6-2-9)26(16,22)23/h1-8H,(H,17,20)(H2,16,22,23)(H2,18,19,21)
InChIKeyRFHAVLZHJJHLJV-UHFFFAOYSA-N
MW432.87 g/mol
LogP0.32
Rot. Bonds4

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

1-(4-chlorophenyl)sulfonyl-3-[(4-sulfamoylbenzoyl)amino]urea (PubChem CID 11396353) has the molecular formula C14H13ClN4O6S2 and a molecular weight of 432.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-[(4-sulfamoylbenzoyl)amino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-[(4-sulfamoylbenzoyl)amino]urea
PubChem CID11396353
Molecular FormulaC14H13ClN4O6S2
Molecular Weight432.87 g/mol
Exact Mass432.00
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-[(4-sulfamoylbenzoyl)amino]urea
SMILESNS(=O)(=O)c1ccc(C(=O)NNC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN4O6S2/c15-10-3-7-12(8-4-10)27(24,25)19-14(21)18-17-13(20)9-1-5-11(6-2-9)26(16,22)23/h1-8H,(H,17,20)(H2,16,22,23)(H2,18,19,21)
InChIKeyRFHAVLZHJJHLJV-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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Related Compounds

N-{[(benzenesulfonyl)carbamoyl]amino}-2-sulfamoylbenzamide
CID 11188711
4-(N-(4-methylphenyl)sulfonylaminocarbonyl-hydrazinocarbonyl)-benzenesulfonamide
CID 11258440
2-(N-(4-fluorophenyl)sulfonylaminocarbonyl-hydrazinocarbonyl)-benzenesulfonamide
CID 11304583
Sulfonyl urea 4d
CID 11339017
2-(N-(2-methylphenyl)sulfonylaminocarbonyl-hydrazinocarbonyl)-benzenesulfonamide
CID 11350445
2-(N-(4-chlorophenyl)sulfonylaminocarbonyl-hydrazinocarbonyl)-benzenesulfonamide
CID 11362509
4-(N-(2-methylphenyl)sulfonylaminocarbonyl-hydrazinocarbonyl)-benzenesulfonamide
CID 11373291
2-(N-(4-methylphenyl)sulfonylaminocarbonyl-hydrazinocarbonyl)-benzenesulfonamide
CID 11407281
N-{[(benzenesulfonyl)carbamoyl]amino}-4-sulfamoylbenzamide
CID 11773896
4-Chloro-N-(4-chlorobenzenesulfonyl)benzamide
CID 837182
N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 4789601
N'-(benzenesulfonyl)-3-chloro-2-fluorobenzohydrazide
CID 134581202

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-[(4-sulfamoylbenzoyl)amino]urea?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-[(4-sulfamoylbenzoyl)amino]urea (CID 11396353) is 1-(4-chlorophenyl)sulfonyl-3-[(4-sulfamoylbenzoyl)amino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-[(4-sulfamoylbenzoyl)amino]urea?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-[(4-sulfamoylbenzoyl)amino]urea is NS(=O)(=O)c1ccc(C(=O)NNC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-[(4-sulfamoylbenzoyl)amino]urea?
The InChIKey is RFHAVLZHJJHLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O6S2/c15-10-3-7-12(8-4-10)27(24,25)19-14(21)18-17-13(20)9-1-5-11(6-2-9)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-[(4-sulfamoylbenzoyl)amino]urea?
1-(4-chlorophenyl)sulfonyl-3-[(4-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-[(4-sulfamoylbenzoyl)amino]urea is sourced from PubChem (CID 11396353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).