5-bromo-N-(2-chloro-4-nitrophenyl)-2-(methanesulfonamido)benzamide

C14H11BrClN3O5S — CID 163370571

IUPAC5-bromo-N-(2-chloro-4-nitrophenyl)-2-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H11BrClN3O5S/c1-25(23,24)18-12-4-2-8(15)6-10(12)14(20)17-13-5-3-9(19(21)22)7-11(13)16/h2-7,18H,1H3,(H,17,20)
InChIKeyMIXGJRBJRJXGPL-UHFFFAOYSA-N
MW448.68 g/mol
LogP3.63
Rot. Bonds5

About 5-bromo-N-(2-chloro-4-nitrophenyl)-2-(methanesulfonamido)benzamide

5-bromo-N-(2-chloro-4-nitrophenyl)-2-(methanesulfonamido)benzamide (PubChem CID 163370571) has the molecular formula C14H11BrClN3O5S and a molecular weight of 448.68 g/mol. Its IUPAC name is 5-bromo-N-(2-chloro-4-nitrophenyl)-2-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloro-4-nitrophenyl)-2-(methanesulfonamido)benzamide
PubChem CID163370571
Molecular FormulaC14H11BrClN3O5S
Molecular Weight448.68 g/mol
Exact Mass446.93
IUPAC Name5-bromo-N-(2-chloro-4-nitrophenyl)-2-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H11BrClN3O5S/c1-25(23,24)18-12-4-2-8(15)6-10(12)14(20)17-13-5-3-9(19(21)22)7-11(13)16/h2-7,18H,1H3,(H,17,20)
InChIKeyMIXGJRBJRJXGPL-UHFFFAOYSA-N
XLogP3.63
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.68
LogP ≤ 53.63
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 5-bromo-N-(2-chloro-4-nitrophenyl)-2-(methanesulfonamido)benzamide?
The IUPAC name of 5-bromo-N-(2-chloro-4-nitrophenyl)-2-(methanesulfonamido)benzamide (CID 163370571) is 5-bromo-N-(2-chloro-4-nitrophenyl)-2-(methanesulfonamido)benzamide.
What is the SMILES notation for 5-bromo-N-(2-chloro-4-nitrophenyl)-2-(methanesulfonamido)benzamide?
The canonical SMILES for 5-bromo-N-(2-chloro-4-nitrophenyl)-2-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 5-bromo-N-(2-chloro-4-nitrophenyl)-2-(methanesulfonamido)benzamide?
The InChIKey is MIXGJRBJRJXGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3O5S/c1-25(23,24)18-12-4-2-8(15)6-10(12)14(20)17-13-5-3-9(19(21)22)7-11(13)16/h2-7,18H,1H3,(H,17,20).
What are the key properties of 5-bromo-N-(2-chloro-4-nitrophenyl)-2-(methanesulfonamido)benzamide?
5-bromo-N-(2-chloro-4-nitrophenyl)-2-(methanesulfonamido)benzamide has a molecular weight of 448.68 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloro-4-nitrophenyl)-2-(methanesulfonamido)benzamide is sourced from PubChem (CID 163370571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).