N-(2,4-dichlorophenyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide

C19H13Cl2N3O5S — CID 139463216

IUPACN-(2,4-dichlorophenyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H13Cl2N3O5S/c20-12-8-9-18(16(21)10-12)22-19(25)15-6-1-2-7-17(15)23-30(28,29)14-5-3-4-13(11-14)24(26)27/h1-11,23H,(H,22,25)
InChIKeyHTMRDNRQJKZFCM-UHFFFAOYSA-N
MW466.30 g/mol
LogP4.95
Rot. Bonds6

About N-(2,4-dichlorophenyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide

N-(2,4-dichlorophenyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide (PubChem CID 139463216) has the molecular formula C19H13Cl2N3O5S and a molecular weight of 466.30 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide
PubChem CID139463216
Molecular FormulaC19H13Cl2N3O5S
Molecular Weight466.30 g/mol
Exact Mass465.00
IUPAC NameN-(2,4-dichlorophenyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H13Cl2N3O5S/c20-12-8-9-18(16(21)10-12)22-19(25)15-6-1-2-7-17(15)23-30(28,29)14-5-3-4-13(11-14)24(26)27/h1-11,23H,(H,22,25)
InChIKeyHTMRDNRQJKZFCM-UHFFFAOYSA-N
XLogP4.95
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.30
LogP ≤ 54.95
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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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide (CID 139463216) is N-(2,4-dichlorophenyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide is O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide?
The InChIKey is HTMRDNRQJKZFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O5S/c20-12-8-9-18(16(21)10-12)22-19(25)15-6-1-2-7-17(15)23-30(28,29)14-5-3-4-13(11-14)24(26)27/h1-11,23H,(H,22,25).
What are the key properties of N-(2,4-dichlorophenyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide?
N-(2,4-dichlorophenyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide has a molecular weight of 466.30 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 139463216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).