N-nitro-N-(2,4,6-trichlorophenyl)benzenesulfonamide

C12H7Cl3N2O4S — CID 71347765

IUPACN-nitro-N-(2,4,6-trichlorophenyl)benzenesulfonamide
SMILESO=[N+]([O-])N(c1c(Cl)cc(Cl)cc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H7Cl3N2O4S/c13-8-6-10(14)12(11(15)7-8)16(17(18)19)22(20,21)9-4-2-1-3-5-9/h1-7H
InChIKeyHVSXPUYXJOCOIV-UHFFFAOYSA-N
MW381.62 g/mol
LogP4.03
Rot. Bonds4

About N-nitro-N-(2,4,6-trichlorophenyl)benzenesulfonamide

N-nitro-N-(2,4,6-trichlorophenyl)benzenesulfonamide (PubChem CID 71347765) has the molecular formula C12H7Cl3N2O4S and a molecular weight of 381.62 g/mol. Its IUPAC name is N-nitro-N-(2,4,6-trichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-nitro-N-(2,4,6-trichlorophenyl)benzenesulfonamide
PubChem CID71347765
Molecular FormulaC12H7Cl3N2O4S
Molecular Weight381.62 g/mol
Exact Mass379.92
IUPAC NameN-nitro-N-(2,4,6-trichlorophenyl)benzenesulfonamide
SMILESO=[N+]([O-])N(c1c(Cl)cc(Cl)cc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H7Cl3N2O4S/c13-8-6-10(14)12(11(15)7-8)16(17(18)19)22(20,21)9-4-2-1-3-5-9/h1-7H
InChIKeyHVSXPUYXJOCOIV-UHFFFAOYSA-N
XLogP4.03
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.62
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-nitro-N-(2,4,6-trichlorophenyl)benzenesulfonamide 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

N-nitro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 91547524
N-(3-chloro-5-nitrophenyl)-N-methylbenzenesulfonamide
CID 23206341
N-(benzenesulfonyl)-N-nitroformamide
CID 54117272
2-(benzenesulfonylmethyl)-4-chloro-1-nitrobenzene
CID 2324900
N-[4-[acetyl(benzenesulfonyl)amino]-2,3,5-trichlorophenyl]-N-(benzenesulfonyl)acetamide
CID 5117636
1-(benzenesulfonylmethyl)-2-chloro-4-nitrobenzene
CID 13256956
N-(4-amino-2-chloro-5-nitrophenyl)-N-(2-chloroethyl)benzenesulfonamide
CID 18413385
N-(3-amino-5-chlorophenyl)-N-methylbenzenesulfonamide
CID 23206345
4-(benzenesulfonylmethyl)-1-(2,4-dichlorophenoxy)-2-nitrobenzene
CID 2743856
N-phenyl-1-(2,4,6-trichlorophenyl)methanimine oxide
CID 88775663
2-(benzenesulfonylmethyl)-1-chloro-3-nitrobenzene
CID 13256980
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetate
CID 8705400

Frequently Asked Questions

What is the IUPAC name of N-nitro-N-(2,4,6-trichlorophenyl)benzenesulfonamide?
The IUPAC name of N-nitro-N-(2,4,6-trichlorophenyl)benzenesulfonamide (CID 71347765) is N-nitro-N-(2,4,6-trichlorophenyl)benzenesulfonamide.
What is the SMILES notation for N-nitro-N-(2,4,6-trichlorophenyl)benzenesulfonamide?
The canonical SMILES for N-nitro-N-(2,4,6-trichlorophenyl)benzenesulfonamide is O=[N+]([O-])N(c1c(Cl)cc(Cl)cc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-nitro-N-(2,4,6-trichlorophenyl)benzenesulfonamide?
The InChIKey is HVSXPUYXJOCOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O4S/c13-8-6-10(14)12(11(15)7-8)16(17(18)19)22(20,21)9-4-2-1-3-5-9/h1-7H.
What are the key properties of N-nitro-N-(2,4,6-trichlorophenyl)benzenesulfonamide?
N-nitro-N-(2,4,6-trichlorophenyl)benzenesulfonamide has a molecular weight of 381.62 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-nitro-N-(2,4,6-trichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 71347765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).