2-chloro-5-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide

C15H14ClN3O5S — CID 2940613

IUPAC2-chloro-5-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H14ClN3O5S/c1-18(2)25(23,24)10-7-8-12(16)11(9-10)15(20)17-13-5-3-4-6-14(13)19(21)22/h3-9H,1-2H3,(H,17,20)
InChIKeyMVTFTEYJGKZOHE-UHFFFAOYSA-N
MW383.81 g/mol
LogP2.75
Rot. Bonds5

About 2-chloro-5-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide

2-chloro-5-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide (PubChem CID 2940613) has the molecular formula C15H14ClN3O5S and a molecular weight of 383.81 g/mol. Its IUPAC name is 2-chloro-5-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide
PubChem CID2940613
Molecular FormulaC15H14ClN3O5S
Molecular Weight383.81 g/mol
Exact Mass383.03
IUPAC Name2-chloro-5-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H14ClN3O5S/c1-18(2)25(23,24)10-7-8-12(16)11(9-10)15(20)17-13-5-3-4-6-14(13)19(21)22/h3-9H,1-2H3,(H,17,20)
InChIKeyMVTFTEYJGKZOHE-UHFFFAOYSA-N
XLogP2.75
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 52.75
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-chloro-5-[(dimethylamino)sulfonyl]-N-(3-nitrophenyl)benzamide
CID 1310207
N-[4-(butylsulfamoyl)phenyl]-2-chloro-5-nitrobenzamide
CID 2187319
2-chloro-N-{4-[(dibutylamino)sulfonyl]phenyl}-4-nitrobenzamide
CID 2188356
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-chloro-4-nitrobenzamide
CID 2947807
3-[(dimethylamino)sulfonyl]-N-(2-nitrophenyl)benzamide
CID 2965965
4-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide
CID 2966317
2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 4881932
2-chloro-N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)benzamide
CID 5193186
2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16265352
4-(dipropylsulfamoyl)-N-(2-nitrophenyl)benzamide
CID 118706961
2-Chloro-5-[(diethylamino)sulfonyl]-N-phenylbenzamide
CID 1079123
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 16327855

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide (CID 2940613) is 2-chloro-5-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide?
The InChIKey is MVTFTEYJGKZOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O5S/c1-18(2)25(23,24)10-7-8-12(16)11(9-10)15(20)17-13-5-3-4-6-14(13)19(21)22/h3-9H,1-2H3,(H,17,20).
What are the key properties of 2-chloro-5-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide?
2-chloro-5-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide has a molecular weight of 383.81 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide is sourced from PubChem (CID 2940613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).