4-(dipropylsulfamoyl)-N-(3-nitrophenyl)benzamide

C19H23N3O5S — CID 118706960

IUPAC4-(dipropylsulfamoyl)-N-(3-nitrophenyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H23N3O5S/c1-3-12-21(13-4-2)28(26,27)18-10-8-15(9-11-18)19(23)20-16-6-5-7-17(14-16)22(24)25/h5-11,14H,3-4,12-13H2,1-2H3,(H,20,23)
InChIKeyZRDFCKONTVQAEC-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.66
Rot. Bonds9

About 4-(dipropylsulfamoyl)-N-(3-nitrophenyl)benzamide

4-(dipropylsulfamoyl)-N-(3-nitrophenyl)benzamide (PubChem CID 118706960) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-(dipropylsulfamoyl)-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(dipropylsulfamoyl)-N-(3-nitrophenyl)benzamide
PubChem CID118706960
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name4-(dipropylsulfamoyl)-N-(3-nitrophenyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H23N3O5S/c1-3-12-21(13-4-2)28(26,27)18-10-8-15(9-11-18)19(23)20-16-6-5-7-17(14-16)22(24)25/h5-11,14H,3-4,12-13H2,1-2H3,(H,20,23)
InChIKeyZRDFCKONTVQAEC-UHFFFAOYSA-N
XLogP3.66
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.66
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 4-(dipropylsulfamoyl)-N-(3-nitrophenyl)benzamide?
The IUPAC name of 4-(dipropylsulfamoyl)-N-(3-nitrophenyl)benzamide (CID 118706960) is 4-(dipropylsulfamoyl)-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 4-(dipropylsulfamoyl)-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 4-(dipropylsulfamoyl)-N-(3-nitrophenyl)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-(dipropylsulfamoyl)-N-(3-nitrophenyl)benzamide?
The InChIKey is ZRDFCKONTVQAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-3-12-21(13-4-2)28(26,27)18-10-8-15(9-11-18)19(23)20-16-6-5-7-17(14-16)22(24)25/h5-11,14H,3-4,12-13H2,1-2H3,(H,20,23).
What are the key properties of 4-(dipropylsulfamoyl)-N-(3-nitrophenyl)benzamide?
4-(dipropylsulfamoyl)-N-(3-nitrophenyl)benzamide has a molecular weight of 405.48 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylsulfamoyl)-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 118706960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).