2-(2-chloro-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide

C15H14ClN3O5S — CID 1310728

IUPAC2-(2-chloro-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1Cl
InChIInChI=1S/C15H14ClN3O5S/c1-25(23,24)18(14-8-3-2-7-13(14)16)10-15(20)17-11-5-4-6-12(9-11)19(21)22/h2-9H,10H2,1H3,(H,17,20)
InChIKeyAGNQDAJMBFITQU-UHFFFAOYSA-N
MW383.81 g/mol
LogP2.65
Rot. Bonds6

About 2-(2-chloro-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide

2-(2-chloro-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide (PubChem CID 1310728) has the molecular formula C15H14ClN3O5S and a molecular weight of 383.81 g/mol. Its IUPAC name is 2-(2-chloro-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide
PubChem CID1310728
Molecular FormulaC15H14ClN3O5S
Molecular Weight383.81 g/mol
Exact Mass383.03
IUPAC Name2-(2-chloro-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1Cl
InChIInChI=1S/C15H14ClN3O5S/c1-25(23,24)18(14-8-3-2-7-13(14)16)10-15(20)17-11-5-4-6-12(9-11)19(21)22/h2-9H,10H2,1H3,(H,17,20)
InChIKeyAGNQDAJMBFITQU-UHFFFAOYSA-N
XLogP2.65
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-chloro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343168
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-nitrophenyl)acetamide
CID 126412342
N-(3,4-dichlorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 126274559
2-(3-methyl-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide
CID 1311836
2-(2-chloro-N-methylsulfonylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 51343181
2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 51343169
methyl 2-chloro-5-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 126318297
methyl 2-chloro-5-[[2-(N-methylsulfonyl-3-nitroanilino)acetyl]amino]benzoate
CID 2209943
2-(2-methyl-N-methylsulfonylanilino)-N-(4-nitrophenyl)acetamide
CID 2874689
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-nitrophenyl)acetamide
CID 1263616
N-(3-methoxyphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 126032440
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(3-methoxyphenyl)acetamide
CID 3271893

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-(2-chloro-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide (CID 1310728) is 2-(2-chloro-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-chloro-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chloro-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide?
The InChIKey is AGNQDAJMBFITQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O5S/c1-25(23,24)18(14-8-3-2-7-13(14)16)10-15(20)17-11-5-4-6-12(9-11)19(21)22/h2-9H,10H2,1H3,(H,17,20).
What are the key properties of 2-(2-chloro-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide?
2-(2-chloro-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide has a molecular weight of 383.81 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 1310728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).