4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide

C17H19N3O5S — CID 34682520

IUPAC4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H19N3O5S/c1-17(2,3)19-26(24,25)15-9-7-12(8-10-15)16(21)18-13-5-4-6-14(11-13)20(22)23/h4-11,19H,1-3H3,(H,18,21)
InChIKeyDBCPXJOGRIMIJM-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.92
Rot. Bonds5

About 4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide

4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide (PubChem CID 34682520) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide
PubChem CID34682520
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H19N3O5S/c1-17(2,3)19-26(24,25)15-9-7-12(8-10-15)16(21)18-13-5-4-6-14(11-13)20(22)23/h4-11,19H,1-3H3,(H,18,21)
InChIKeyDBCPXJOGRIMIJM-UHFFFAOYSA-N
XLogP2.92
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
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-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 29200413
3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 32627137
4-hydroxy-N-(3-nitrophenyl)benzamide
CID 22759587
4-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)benzamide
CID 1320507
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide
CID 25445720
N-[3-(tert-butylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide
CID 9371958
4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-nitrophenyl)benzamide
CID 2344490
4-N-(3-nitrophenyl)-1-N-[2-[[4-[(3-nitrophenyl)carbamoyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide
CID 22152538
2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N-(3-methylphenyl)benzamide
CID 55499981
4-methoxy-3-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 40742222
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)benzamide
CID 1255625

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide?
The IUPAC name of 4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide (CID 34682520) is 4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide?
The InChIKey is DBCPXJOGRIMIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-17(2,3)19-26(24,25)15-9-7-12(8-10-15)16(21)18-13-5-4-6-14(11-13)20(22)23/h4-11,19H,1-3H3,(H,18,21).
What are the key properties of 4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide?
4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide has a molecular weight of 377.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 34682520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).