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

C15H15N3O5S — CID 2966317

IUPAC4-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O5S/c1-17(2)24(22,23)12-9-7-11(8-10-12)15(19)16-13-5-3-4-6-14(13)18(20)21/h3-10H,1-2H3,(H,16,19)
InChIKeyXZHRZLSZEGVTJG-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.10
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide

4-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide (PubChem CID 2966317) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide
PubChem CID2966317
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name4-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O5S/c1-17(2)24(22,23)12-9-7-11(8-10-12)15(19)16-13-5-3-4-6-14(13)18(20)21/h3-10H,1-2H3,(H,16,19)
InChIKeyXZHRZLSZEGVTJG-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

3-(azepan-1-ylsulfonyl)-N-(3-nitrophenyl)benzamide
CID 1341463
2'-Nitrobenzanilide
CID 69769
N-(4-(((4-Methylphenyl)sulfonyl)amino)-3-nitrophenyl)acetamide
CID 3091011
N-{3-[methyl(methylsulfonyl)amino]phenyl}-3-nitrobenzamide
CID 894008
N-{3-nitrophenyl}-3-[(4-methyl-1-piperazinyl)sulfonyl]benzamide
CID 1216483
4-methyl-N-(2-{[(2-nitrophenyl)sulfonyl]amino}ethyl)benzamide
CID 2288845
4-[(4-methyl-1-piperazinyl)sulfonyl]-N-phenylbenzamide
CID 1262873
N-[3-(aminosulfonyl)phenyl]-3-nitrobenzamide
CID 2885800
4-[4-(Benzenesulfonyl)piperazin-1-yl]-3-nitrobenzamide
CID 4673522
4-Nitro-N-[4-(pyrrolidine-1-sulfonyl)-phenyl]-benzamide
CID 1011654
4-[(dimethylamino)sulfonyl]-N-(2-fluorophenyl)benzamide
CID 1262837
4-(dipropylsulfamoyl)-N-phenylbenzamide
CID 1548275

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide (CID 2966317) is 4-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide?
The InChIKey is XZHRZLSZEGVTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-17(2)24(22,23)12-9-7-11(8-10-12)15(19)16-13-5-3-4-6-14(13)18(20)21/h3-10H,1-2H3,(H,16,19).
What are the key properties of 4-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide?
4-(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 4-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide is sourced from PubChem (CID 2966317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).