N-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide

C12H8ClN3O6S — CID 19203778

IUPACN-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C12H8ClN3O6S/c13-11-5-4-8(6-12(11)16(19)20)14-23(21,22)10-3-1-2-9(7-10)15(17)18/h1-7,14H
InChIKeyDFRVENNGZRDKMU-UHFFFAOYSA-N
MW357.73 g/mol
LogP2.96
Rot. Bonds5

About N-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide

N-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide (PubChem CID 19203778) has the molecular formula C12H8ClN3O6S and a molecular weight of 357.73 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide
PubChem CID19203778
Molecular FormulaC12H8ClN3O6S
Molecular Weight357.73 g/mol
Exact Mass356.98
IUPAC NameN-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C12H8ClN3O6S/c13-11-5-4-8(6-12(11)16(19)20)14-23(21,22)10-3-1-2-9(7-10)15(17)18/h1-7,14H
InChIKeyDFRVENNGZRDKMU-UHFFFAOYSA-N
XLogP2.96
TPSA132.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.73
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523374
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 22202678
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 4647141
N-(4-bromo-3-chlorophenyl)-3-nitrobenzenesulfonamide
CID 2962820
N-(4-chloro-3-nitrophenyl)-3-cyanobenzenesulfonamide
CID 8523387
3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523386
4-chloro-N-(3-methylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 8842745
4-chloro-N-[3-(dimethylsulfamoyl)phenyl]-3-nitrobenzenesulfonamide
CID 26969002
4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
CID 2888137
N-(4-bromophenyl)-3-nitrobenzenesulfonamide
CID 598510
2-chloro-N-(4-chloro-3-nitrophenyl)pyridine-4-sulfonamide
CID 61051683
N-(4-chloro-3-nitrophenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 18278938

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide (CID 19203778) is N-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide is O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide?
The InChIKey is DFRVENNGZRDKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O6S/c13-11-5-4-8(6-12(11)16(19)20)14-23(21,22)10-3-1-2-9(7-10)15(17)18/h1-7,14H.
What are the key properties of N-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide?
N-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide has a molecular weight of 357.73 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 19203778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).