2-(benzenesulfonamido)-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide

C19H13Cl2N3O5S — CID 163370454

IUPAC2-(benzenesulfonamido)-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H13Cl2N3O5S/c20-12-6-8-17(23-30(28,29)14-4-2-1-3-5-14)15(10-12)19(25)22-18-9-7-13(24(26)27)11-16(18)21/h1-11,23H,(H,22,25)
InChIKeyRNXZGEJRBLLOBI-UHFFFAOYSA-N
MW466.30 g/mol
LogP4.95
Rot. Bonds6

About 2-(benzenesulfonamido)-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide

2-(benzenesulfonamido)-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide (PubChem CID 163370454) has the molecular formula C19H13Cl2N3O5S and a molecular weight of 466.30 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide
PubChem CID163370454
Molecular FormulaC19H13Cl2N3O5S
Molecular Weight466.30 g/mol
Exact Mass465.00
IUPAC Name2-(benzenesulfonamido)-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H13Cl2N3O5S/c20-12-6-8-17(23-30(28,29)14-4-2-1-3-5-14)15(10-12)19(25)22-18-9-7-13(24(26)27)11-16(18)21/h1-11,23H,(H,22,25)
InChIKeyRNXZGEJRBLLOBI-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 2-(benzenesulfonamido)-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide?
The IUPAC name of 2-(benzenesulfonamido)-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide (CID 163370454) is 2-(benzenesulfonamido)-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide.
What is the SMILES notation for 2-(benzenesulfonamido)-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide?
The canonical SMILES for 2-(benzenesulfonamido)-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide?
The InChIKey is RNXZGEJRBLLOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O5S/c20-12-6-8-17(23-30(28,29)14-4-2-1-3-5-14)15(10-12)19(25)22-18-9-7-13(24(26)27)11-16(18)21/h1-11,23H,(H,22,25).
What are the key properties of 2-(benzenesulfonamido)-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide?
2-(benzenesulfonamido)-5-chloro-N-(2-chloro-4-nitrophenyl)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 2-(benzenesulfonamido)-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide is sourced from PubChem (CID 163370454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).