N-[4-(dipropylsulfamoyl)phenyl]-3,5-dinitrobenzamide

C19H22N4O7S — CID 4929164

IUPACN-[4-(dipropylsulfamoyl)phenyl]-3,5-dinitrobenzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H22N4O7S/c1-3-9-21(10-4-2)31(29,30)18-7-5-15(6-8-18)20-19(24)14-11-16(22(25)26)13-17(12-14)23(27)28/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,20,24)
InChIKeyQJFPYNPAZMRDNU-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.57
Rot. Bonds10

About N-[4-(dipropylsulfamoyl)phenyl]-3,5-dinitrobenzamide

N-[4-(dipropylsulfamoyl)phenyl]-3,5-dinitrobenzamide (PubChem CID 4929164) has the molecular formula C19H22N4O7S and a molecular weight of 450.47 g/mol. Its IUPAC name is N-[4-(dipropylsulfamoyl)phenyl]-3,5-dinitrobenzamide.

Molecular Properties

Compound NameN-[4-(dipropylsulfamoyl)phenyl]-3,5-dinitrobenzamide
PubChem CID4929164
Molecular FormulaC19H22N4O7S
Molecular Weight450.47 g/mol
Exact Mass450.12
IUPAC NameN-[4-(dipropylsulfamoyl)phenyl]-3,5-dinitrobenzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H22N4O7S/c1-3-9-21(10-4-2)31(29,30)18-7-5-15(6-8-18)20-19(24)14-11-16(22(25)26)13-17(12-14)23(27)28/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,20,24)
InChIKeyQJFPYNPAZMRDNU-UHFFFAOYSA-N
XLogP3.57
TPSA152.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.57
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-(dipropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 1293951
4-(dipropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 4012286
N-[4-(dipropylsulfamoyl)phenyl]-3-iodobenzamide
CID 1294575
N-[4-(butylsulfamoyl)phenyl]-3,5-dinitrobenzamide
CID 5052998
N-[4-(dipropylsulfamoyl)phenyl]-3-methyl-2-nitrobenzamide
CID 1307165
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
4-(dipropylsulfamoyl)-N-[2-[2-[(4-nitrophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]benzamide
CID 43948675
N-(4-methylphenyl)-3,5-dinitrobenzamide
CID 3094563
4-(dipropylsulfamoyl)-N-(4-phenyldiazenylphenyl)benzamide
CID 3597493
N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide
CID 2672860
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158

Frequently Asked Questions

What is the IUPAC name of N-[4-(dipropylsulfamoyl)phenyl]-3,5-dinitrobenzamide?
The IUPAC name of N-[4-(dipropylsulfamoyl)phenyl]-3,5-dinitrobenzamide (CID 4929164) is N-[4-(dipropylsulfamoyl)phenyl]-3,5-dinitrobenzamide.
What is the SMILES notation for N-[4-(dipropylsulfamoyl)phenyl]-3,5-dinitrobenzamide?
The canonical SMILES for N-[4-(dipropylsulfamoyl)phenyl]-3,5-dinitrobenzamide is CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[4-(dipropylsulfamoyl)phenyl]-3,5-dinitrobenzamide?
The InChIKey is QJFPYNPAZMRDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O7S/c1-3-9-21(10-4-2)31(29,30)18-7-5-15(6-8-18)20-19(24)14-11-16(22(25)26)13-17(12-14)23(27)28/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,20,24).
What are the key properties of N-[4-(dipropylsulfamoyl)phenyl]-3,5-dinitrobenzamide?
N-[4-(dipropylsulfamoyl)phenyl]-3,5-dinitrobenzamide has a molecular weight of 450.47 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dipropylsulfamoyl)phenyl]-3,5-dinitrobenzamide is sourced from PubChem (CID 4929164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).