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

C19H23N3O5S — CID 118706961

IUPAC4-(dipropylsulfamoyl)-N-(2-nitrophenyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H23N3O5S/c1-3-13-21(14-4-2)28(26,27)16-11-9-15(10-12-16)19(23)20-17-7-5-6-8-18(17)22(24)25/h5-12H,3-4,13-14H2,1-2H3,(H,20,23)
InChIKeyYVLKZDGETCKFNH-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.66
Rot. Bonds9

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

4-(dipropylsulfamoyl)-N-(2-nitrophenyl)benzamide (PubChem CID 118706961) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-(dipropylsulfamoyl)-N-(2-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(dipropylsulfamoyl)-N-(2-nitrophenyl)benzamide
PubChem CID118706961
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name4-(dipropylsulfamoyl)-N-(2-nitrophenyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H23N3O5S/c1-3-13-21(14-4-2)28(26,27)16-11-9-15(10-12-16)19(23)20-17-7-5-6-8-18(17)22(24)25/h5-12H,3-4,13-14H2,1-2H3,(H,20,23)
InChIKeyYVLKZDGETCKFNH-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-(2-nitrophenyl)benzamide?
The IUPAC name of 4-(dipropylsulfamoyl)-N-(2-nitrophenyl)benzamide (CID 118706961) is 4-(dipropylsulfamoyl)-N-(2-nitrophenyl)benzamide.
What is the SMILES notation for 4-(dipropylsulfamoyl)-N-(2-nitrophenyl)benzamide?
The canonical SMILES for 4-(dipropylsulfamoyl)-N-(2-nitrophenyl)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-(dipropylsulfamoyl)-N-(2-nitrophenyl)benzamide?
The InChIKey is YVLKZDGETCKFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-3-13-21(14-4-2)28(26,27)16-11-9-15(10-12-16)19(23)20-17-7-5-6-8-18(17)22(24)25/h5-12H,3-4,13-14H2,1-2H3,(H,20,23).
What are the key properties of 4-(dipropylsulfamoyl)-N-(2-nitrophenyl)benzamide?
4-(dipropylsulfamoyl)-N-(2-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-(2-nitrophenyl)benzamide is sourced from PubChem (CID 118706961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).