N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide

C15H15N3O5S — CID 2672860

IUPACN-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H15N3O5S/c1-17(2)24(22,23)14-9-5-12(6-10-14)16-15(19)11-3-7-13(8-4-11)18(20)21/h3-10H,1-2H3,(H,16,19)
InChIKeyJIZRFDGKXPFPDQ-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.10
Rot. Bonds5

About N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide

N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide (PubChem CID 2672860) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide
PubChem CID2672860
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H15N3O5S/c1-17(2)24(22,23)14-9-5-12(6-10-14)16-15(19)11-3-7-13(8-4-11)18(20)21/h3-10H,1-2H3,(H,16,19)
InChIKeyJIZRFDGKXPFPDQ-UHFFFAOYSA-N
XLogP2.10
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.10
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

4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 33152473
N-[4-(dimethylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 110756571
N,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide
CID 4824063
potassium 4-[(4-nitrobenzoyl)amino]benzenesulfonic acid
CID 54607027
4-(dimethylsulfamoyl)-N-(2,4-dinitrophenyl)benzamide
CID 3956705
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472
4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide
CID 8922506
N-[4-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide
CID 675941
N-[4-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 1416689
N-[4-(diaminomethylideneamino)sulfonylphenyl]-4-nitrobenzamide
CID 2289055

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide (CID 2672860) is N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide is CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide?
The InChIKey is JIZRFDGKXPFPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-17(2)24(22,23)14-9-5-12(6-10-14)16-15(19)11-3-7-13(8-4-11)18(20)21/h3-10H,1-2H3,(H,16,19).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide?
N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide has a molecular weight of 349.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide is sourced from PubChem (CID 2672860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).