2-(2-chloro-4-nitrophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide

C16H16ClN3O6S — CID 8587877

IUPAC2-(2-chloro-4-nitrophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)ccc1C
InChIInChI=1S/C16H16ClN3O6S/c1-10-3-4-11(7-15(10)27(24,25)18-2)19-16(21)9-26-14-6-5-12(20(22)23)8-13(14)17/h3-8,18H,9H2,1-2H3,(H,19,21)
InChIKeyZSCOESGOESNYCP-UHFFFAOYSA-N
MW413.84 g/mol
LogP2.48
Rot. Bonds7

About 2-(2-chloro-4-nitrophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide

2-(2-chloro-4-nitrophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide (PubChem CID 8587877) has the molecular formula C16H16ClN3O6S and a molecular weight of 413.84 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
PubChem CID8587877
Molecular FormulaC16H16ClN3O6S
Molecular Weight413.84 g/mol
Exact Mass413.04
IUPAC Name2-(2-chloro-4-nitrophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)ccc1C
InChIInChI=1S/C16H16ClN3O6S/c1-10-3-4-11(7-15(10)27(24,25)18-2)19-16(21)9-26-14-6-5-12(20(22)23)8-13(14)17/h3-8,18H,9H2,1-2H3,(H,19,21)
InChIKeyZSCOESGOESNYCP-UHFFFAOYSA-N
XLogP2.48
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.84
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 2513315
2-(2-chloro-4-nitrophenoxy)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 35139385
N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 2513244
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 9107095
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
N-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 8587959
2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 8587696
2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 720864
2-(2,4-dichlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide
CID 9308338
2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297
2-(2-chloro-4-nitrophenoxy)-N-(5-chloro-2-nitrophenyl)acetamide
CID 7865806
2-[2-chloro-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126257728

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide (CID 8587877) is 2-(2-chloro-4-nitrophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide is CNS(=O)(=O)c1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)ccc1C.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide?
The InChIKey is ZSCOESGOESNYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O6S/c1-10-3-4-11(7-15(10)27(24,25)18-2)19-16(21)9-26-14-6-5-12(20(22)23)8-13(14)17/h3-8,18H,9H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide?
2-(2-chloro-4-nitrophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide has a molecular weight of 413.84 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 8587877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).