N'-(4-chloro-3-nitrophenyl)-N-(3-methylsulfanylphenyl)oxamide

C15H12ClN3O4S — CID 108512717

IUPACN'-(4-chloro-3-nitrophenyl)-N-(3-methylsulfanylphenyl)oxamide
SMILESCSc1cccc(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H12ClN3O4S/c1-24-11-4-2-3-9(7-11)17-14(20)15(21)18-10-5-6-12(16)13(8-10)19(22)23/h2-8H,1H3,(H,17,20)(H,18,21)
InChIKeyHCMQJCWXMYIZCO-UHFFFAOYSA-N
MW365.80 g/mol
LogP3.55
Rot. Bonds4

About N'-(4-chloro-3-nitrophenyl)-N-(3-methylsulfanylphenyl)oxamide

N'-(4-chloro-3-nitrophenyl)-N-(3-methylsulfanylphenyl)oxamide (PubChem CID 108512717) has the molecular formula C15H12ClN3O4S and a molecular weight of 365.80 g/mol. Its IUPAC name is N'-(4-chloro-3-nitrophenyl)-N-(3-methylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN'-(4-chloro-3-nitrophenyl)-N-(3-methylsulfanylphenyl)oxamide
PubChem CID108512717
Molecular FormulaC15H12ClN3O4S
Molecular Weight365.80 g/mol
Exact Mass365.02
IUPAC NameN'-(4-chloro-3-nitrophenyl)-N-(3-methylsulfanylphenyl)oxamide
SMILESCSc1cccc(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H12ClN3O4S/c1-24-11-4-2-3-9(7-11)17-14(20)15(21)18-10-5-6-12(16)13(8-10)19(22)23/h2-8H,1H3,(H,17,20)(H,18,21)
InChIKeyHCMQJCWXMYIZCO-UHFFFAOYSA-N
XLogP3.55
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108512848
[2-(3-methylsulfanylanilino)-2-oxoethyl] 4-chloro-3-nitrobenzoate
CID 2684862
N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512810
N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108512821
N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide
CID 108506810
N-(4-chloro-3-nitrophenyl)-N'-(2,3-dichlorophenyl)oxamide
CID 108500702
N-[(4-chloro-3-nitrophenyl)methyl]-3-methylsulfanylaniline
CID 115281331
methyl 2-(4-chloro-3-nitroanilino)-2-oxoacetate
CID 103601678
4-(4-chloro-3-nitroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991515
N'-(4-chloro-3-nitrophenyl)-N-(4-phenoxyphenyl)oxamide
CID 108511578
N'-(4-chloro-3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108512875
1-(4-chloro-3-nitrophenyl)-3-methylurea
CID 47173770

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-nitrophenyl)-N-(3-methylsulfanylphenyl)oxamide?
The IUPAC name of N'-(4-chloro-3-nitrophenyl)-N-(3-methylsulfanylphenyl)oxamide (CID 108512717) is N'-(4-chloro-3-nitrophenyl)-N-(3-methylsulfanylphenyl)oxamide.
What is the SMILES notation for N'-(4-chloro-3-nitrophenyl)-N-(3-methylsulfanylphenyl)oxamide?
The canonical SMILES for N'-(4-chloro-3-nitrophenyl)-N-(3-methylsulfanylphenyl)oxamide is CSc1cccc(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N'-(4-chloro-3-nitrophenyl)-N-(3-methylsulfanylphenyl)oxamide?
The InChIKey is HCMQJCWXMYIZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O4S/c1-24-11-4-2-3-9(7-11)17-14(20)15(21)18-10-5-6-12(16)13(8-10)19(22)23/h2-8H,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-(4-chloro-3-nitrophenyl)-N-(3-methylsulfanylphenyl)oxamide?
N'-(4-chloro-3-nitrophenyl)-N-(3-methylsulfanylphenyl)oxamide has a molecular weight of 365.80 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-3-nitrophenyl)-N-(3-methylsulfanylphenyl)oxamide is sourced from PubChem (CID 108512717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).