2-chloro-5-(dimethylsulfamoyl)-N-(3-nitrophenyl)benzamide

C15H14ClN3O5S — CID 1310207

IUPAC2-chloro-5-(dimethylsulfamoyl)-N-(3-nitrophenyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H14ClN3O5S/c1-18(2)25(23,24)12-6-7-14(16)13(9-12)15(20)17-10-4-3-5-11(8-10)19(21)22/h3-9H,1-2H3,(H,17,20)
InChIKeyDILPMLYWQJPNLO-UHFFFAOYSA-N
MW383.81 g/mol
LogP2.75
Rot. Bonds5

About 2-chloro-5-(dimethylsulfamoyl)-N-(3-nitrophenyl)benzamide

2-chloro-5-(dimethylsulfamoyl)-N-(3-nitrophenyl)benzamide (PubChem CID 1310207) has the molecular formula C15H14ClN3O5S and a molecular weight of 383.81 g/mol. Its IUPAC name is 2-chloro-5-(dimethylsulfamoyl)-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)-N-(3-nitrophenyl)benzamide
PubChem CID1310207
Molecular FormulaC15H14ClN3O5S
Molecular Weight383.81 g/mol
Exact Mass383.03
IUPAC Name2-chloro-5-(dimethylsulfamoyl)-N-(3-nitrophenyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H14ClN3O5S/c1-18(2)25(23,24)12-6-7-14(16)13(9-12)15(20)17-10-4-3-5-11(8-10)19(21)22/h3-9H,1-2H3,(H,17,20)
InChIKeyDILPMLYWQJPNLO-UHFFFAOYSA-N
XLogP2.75
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 52.75
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'}

Analyze 2-chloro-5-(dimethylsulfamoyl)-N-(3-nitrophenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-(3-nitrophenyl)benzamide?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-(3-nitrophenyl)benzamide (CID 1310207) is 2-chloro-5-(dimethylsulfamoyl)-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)-N-(3-nitrophenyl)benzamide is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)-N-(3-nitrophenyl)benzamide?
The InChIKey is DILPMLYWQJPNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O5S/c1-18(2)25(23,24)12-6-7-14(16)13(9-12)15(20)17-10-4-3-5-11(8-10)19(21)22/h3-9H,1-2H3,(H,17,20).
What are the key properties of 2-chloro-5-(dimethylsulfamoyl)-N-(3-nitrophenyl)benzamide?
2-chloro-5-(dimethylsulfamoyl)-N-(3-nitrophenyl)benzamide has a molecular weight of 383.81 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylsulfamoyl)-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 1310207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).