2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide

C15H14ClN3O6S — CID 9412029

IUPAC2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H14ClN3O6S/c1-25-11-4-2-10(3-5-11)18-15(20)9-17-26(23,24)12-6-7-13(16)14(8-12)19(21)22/h2-8,17H,9H2,1H3,(H,18,20)
InChIKeyNZSZQNBNBHSPKZ-UHFFFAOYSA-N
MW399.81 g/mol
LogP2.17
Rot. Bonds7

About 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide

2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 9412029) has the molecular formula C15H14ClN3O6S and a molecular weight of 399.81 g/mol. Its IUPAC name is 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID9412029
Molecular FormulaC15H14ClN3O6S
Molecular Weight399.81 g/mol
Exact Mass399.03
IUPAC Name2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H14ClN3O6S/c1-25-11-4-2-10(3-5-11)18-15(20)9-17-26(23,24)12-6-7-13(16)14(8-12)19(21)22/h2-8,17H,9H2,1H3,(H,18,20)
InChIKeyNZSZQNBNBHSPKZ-UHFFFAOYSA-N
XLogP2.17
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.81
LogP ≤ 52.17
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

2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998755
2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43397585
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998742
N-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112998738
[2-(4-chloro-3-nitroanilino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2496692
methyl 4-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate
CID 24639142
N-(4-chloro-3-nitrophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 22200427
N-(4-methoxyphenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112998764
N'-[(4-chloro-3-nitrophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3277109
N-(4-acetamidophenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide
CID 112999779
N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 26584175
2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide
CID 18078607

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide (CID 9412029) is 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is NZSZQNBNBHSPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O6S/c1-25-11-4-2-10(3-5-11)18-15(20)9-17-26(23,24)12-6-7-13(16)14(8-12)19(21)22/h2-8,17H,9H2,1H3,(H,18,20).
What are the key properties of 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide?
2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 399.81 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 9412029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).