N'-(2-chloro-5-nitrophenyl)-N-(4-sulfamoylphenyl)oxamide

C14H11ClN4O6S — CID 108508659

IUPACN'-(2-chloro-5-nitrophenyl)-N-(4-sulfamoylphenyl)oxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1
InChIInChI=1S/C14H11ClN4O6S/c15-11-6-3-9(19(22)23)7-12(11)18-14(21)13(20)17-8-1-4-10(5-2-8)26(16,24)25/h1-7H,(H,17,20)(H,18,21)(H2,16,24,25)
InChIKeyKWXPDLTUSPFVRQ-UHFFFAOYSA-N
MW398.78 g/mol
LogP1.47
Rot. Bonds4

About N'-(2-chloro-5-nitrophenyl)-N-(4-sulfamoylphenyl)oxamide

N'-(2-chloro-5-nitrophenyl)-N-(4-sulfamoylphenyl)oxamide (PubChem CID 108508659) has the molecular formula C14H11ClN4O6S and a molecular weight of 398.78 g/mol. Its IUPAC name is N'-(2-chloro-5-nitrophenyl)-N-(4-sulfamoylphenyl)oxamide.

Molecular Properties

Compound NameN'-(2-chloro-5-nitrophenyl)-N-(4-sulfamoylphenyl)oxamide
PubChem CID108508659
Molecular FormulaC14H11ClN4O6S
Molecular Weight398.78 g/mol
Exact Mass398.01
IUPAC NameN'-(2-chloro-5-nitrophenyl)-N-(4-sulfamoylphenyl)oxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1
InChIInChI=1S/C14H11ClN4O6S/c15-11-6-3-9(19(22)23)7-12(11)18-14(21)13(20)17-8-1-4-10(5-2-8)26(16,24)25/h1-7H,(H,17,20)(H,18,21)(H2,16,24,25)
InChIKeyKWXPDLTUSPFVRQ-UHFFFAOYSA-N
XLogP1.47
TPSA161.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.78
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(2-chloro-5-nitrophenyl)-2-cyano-3-(4-sulfamoylanilino)prop-2-enamide
CID 108853678
N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500936
2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide
CID 1350235
N-(4-butylphenyl)-N'-(2-chloro-5-nitrophenyl)oxamide
CID 108502372
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloro-5-nitrobenzoate
CID 5065869
N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500250
2-acetamido-4-nitro-N-(4-sulfamoylphenyl)benzamide
CID 10022521
N'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide
CID 108513456
N,N'-bis(2-chloro-5-nitrophenyl)-2,2,3,3-tetrafluorobutanediamide
CID 3519654
1-(2-fluoro-4-nitrophenyl)-3-(4-sulfamoylphenyl)urea
CID 141330135
N'-(2-chloro-5-nitrophenyl)-N-(3-methoxyphenyl)oxamide
CID 108513447
N'-(2-chloro-5-nitrophenyl)-N-(1H-indazol-6-yl)oxamide
CID 108513544

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-5-nitrophenyl)-N-(4-sulfamoylphenyl)oxamide?
The IUPAC name of N'-(2-chloro-5-nitrophenyl)-N-(4-sulfamoylphenyl)oxamide (CID 108508659) is N'-(2-chloro-5-nitrophenyl)-N-(4-sulfamoylphenyl)oxamide.
What is the SMILES notation for N'-(2-chloro-5-nitrophenyl)-N-(4-sulfamoylphenyl)oxamide?
The canonical SMILES for N'-(2-chloro-5-nitrophenyl)-N-(4-sulfamoylphenyl)oxamide is NS(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1.
What is the InChIKey of N'-(2-chloro-5-nitrophenyl)-N-(4-sulfamoylphenyl)oxamide?
The InChIKey is KWXPDLTUSPFVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O6S/c15-11-6-3-9(19(22)23)7-12(11)18-14(21)13(20)17-8-1-4-10(5-2-8)26(16,24)25/h1-7H,(H,17,20)(H,18,21)(H2,16,24,25).
What are the key properties of N'-(2-chloro-5-nitrophenyl)-N-(4-sulfamoylphenyl)oxamide?
N'-(2-chloro-5-nitrophenyl)-N-(4-sulfamoylphenyl)oxamide has a molecular weight of 398.78 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-5-nitrophenyl)-N-(4-sulfamoylphenyl)oxamide is sourced from PubChem (CID 108508659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).