N-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide

C20H17N3O5S — CID 26576093

IUPACN-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H17N3O5S/c1-14-7-10-17(13-19(14)23(25)26)21-20(24)15-8-11-18(12-9-15)29(27,28)22-16-5-3-2-4-6-16/h2-13,22H,1H3,(H,21,24)
InChIKeyKPCJJTMSNJPOSG-UHFFFAOYSA-N
MW411.44 g/mol
LogP3.96
Rot. Bonds6

About N-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide

N-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide (PubChem CID 26576093) has the molecular formula C20H17N3O5S and a molecular weight of 411.44 g/mol. Its IUPAC name is N-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide
PubChem CID26576093
Molecular FormulaC20H17N3O5S
Molecular Weight411.44 g/mol
Exact Mass411.09
IUPAC NameN-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H17N3O5S/c1-14-7-10-17(13-19(14)23(25)26)21-20(24)15-8-11-18(12-9-15)29(27,28)22-16-5-3-2-4-6-16/h2-13,22H,1H3,(H,21,24)
InChIKeyKPCJJTMSNJPOSG-UHFFFAOYSA-N
XLogP3.96
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 53.96
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-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
CID 26537691
4-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide
CID 26576215
N-(1,3-benzodioxol-5-yl)-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 27648604
2-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 55439570
3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide
CID 55633368
4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide
CID 78783914
N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide
CID 4230434
3-(methanesulfonamido)-N-(4-methyl-3-nitrophenyl)benzamide
CID 39265881
3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 2210829
N-(4-fluoro-2-methylphenyl)-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 26886321
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide
CID 39265874
N-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]pyridine-2-carboxamide
CID 4838891

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide?
The IUPAC name of N-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide (CID 26576093) is N-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide is Cc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide?
The InChIKey is KPCJJTMSNJPOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5S/c1-14-7-10-17(13-19(14)23(25)26)21-20(24)15-8-11-18(12-9-15)29(27,28)22-16-5-3-2-4-6-16/h2-13,22H,1H3,(H,21,24).
What are the key properties of N-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide?
N-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide has a molecular weight of 411.44 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 26576093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).