4-(dimethylsulfamoyl)-N-(2,4-dinitrophenyl)benzamide

C15H14N4O7S — CID 3956705

IUPAC4-(dimethylsulfamoyl)-N-(2,4-dinitrophenyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H14N4O7S/c1-17(2)27(25,26)12-6-3-10(4-7-12)15(20)16-13-8-5-11(18(21)22)9-14(13)19(23)24/h3-9H,1-2H3,(H,16,20)
InChIKeyXSNJLSMKCGDLMH-UHFFFAOYSA-N
MW394.37 g/mol
LogP2.01
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-(2,4-dinitrophenyl)benzamide

4-(dimethylsulfamoyl)-N-(2,4-dinitrophenyl)benzamide (PubChem CID 3956705) has the molecular formula C15H14N4O7S and a molecular weight of 394.37 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(2,4-dinitrophenyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(2,4-dinitrophenyl)benzamide
PubChem CID3956705
Molecular FormulaC15H14N4O7S
Molecular Weight394.37 g/mol
Exact Mass394.06
IUPAC Name4-(dimethylsulfamoyl)-N-(2,4-dinitrophenyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H14N4O7S/c1-17(2)27(25,26)12-6-3-10(4-7-12)15(20)16-13-8-5-11(18(21)22)9-14(13)19(23)24/h3-9H,1-2H3,(H,16,20)
InChIKeyXSNJLSMKCGDLMH-UHFFFAOYSA-N
XLogP2.01
TPSA152.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide
CID 2672860
1-N,3-N-bis(2,4-dinitrophenyl)benzene-1,3-dicarboxamide
CID 628714
N-(2,4-dinitrophenyl)-3-nitrobenzamide
CID 3427628
N-(4-amino-2-nitrophenyl)-4-nitrobenzamide
CID 3089914
N-[4-[(2,4-dinitrophenyl)carbamoyl]phenyl]-3-methylbenzamide
CID 5152612
4-cyclohexyl-N-(2,4-dinitrophenyl)benzamide
CID 44665405
6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide
CID 22668935
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide
CID 7921738
(2,4-dinitrophenyl)carbamic acid
CID 154114547
N-[3-(dimethylsulfamoyl)phenyl]-3-nitrobenzamide
CID 9093681
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(methylamino)-5-nitrobenzamide
CID 16963347
N-(2-acetamido-5-fluorophenyl)-4-(dimethylsulfamoyl)benzamide
CID 113092963

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(2,4-dinitrophenyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(2,4-dinitrophenyl)benzamide (CID 3956705) is 4-(dimethylsulfamoyl)-N-(2,4-dinitrophenyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(2,4-dinitrophenyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(2,4-dinitrophenyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(2,4-dinitrophenyl)benzamide?
The InChIKey is XSNJLSMKCGDLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O7S/c1-17(2)27(25,26)12-6-3-10(4-7-12)15(20)16-13-8-5-11(18(21)22)9-14(13)19(23)24/h3-9H,1-2H3,(H,16,20).
What are the key properties of 4-(dimethylsulfamoyl)-N-(2,4-dinitrophenyl)benzamide?
4-(dimethylsulfamoyl)-N-(2,4-dinitrophenyl)benzamide has a molecular weight of 394.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(2,4-dinitrophenyl)benzamide is sourced from PubChem (CID 3956705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).