3-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide

C15H15N3O5S — CID 2965965

IUPAC3-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O5S/c1-17(2)24(22,23)12-7-5-6-11(10-12)15(19)16-13-8-3-4-9-14(13)18(20)21/h3-10H,1-2H3,(H,16,19)
InChIKeyXFVPNMILOPSQEZ-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.10
Rot. Bonds5

About 3-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide

3-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide (PubChem CID 2965965) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide
PubChem CID2965965
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name3-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O5S/c1-17(2)24(22,23)12-7-5-6-11(10-12)15(19)16-13-8-3-4-9-14(13)18(20)21/h3-10H,1-2H3,(H,16,19)
InChIKeyXFVPNMILOPSQEZ-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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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide (CID 2965965) is 3-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide?
The InChIKey is XFVPNMILOPSQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-17(2)24(22,23)12-7-5-6-11(10-12)15(19)16-13-8-3-4-9-14(13)18(20)21/h3-10H,1-2H3,(H,16,19).
What are the key properties of 3-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide?
3-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide 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 3-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide is sourced from PubChem (CID 2965965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).