N-(2,3-dichlorophenyl)-4-methyl-3-nitrobenzenesulfonamide

C13H10Cl2N2O4S — CID 3322444

IUPACN-(2,3-dichlorophenyl)-4-methyl-3-nitrobenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H10Cl2N2O4S/c1-8-5-6-9(7-12(8)17(18)19)22(20,21)16-11-4-2-3-10(14)13(11)15/h2-7,16H,1H3
InChIKeyTWJVESNWRGORMX-UHFFFAOYSA-N
MW361.21 g/mol
LogP4.01
Rot. Bonds4

About N-(2,3-dichlorophenyl)-4-methyl-3-nitrobenzenesulfonamide

N-(2,3-dichlorophenyl)-4-methyl-3-nitrobenzenesulfonamide (PubChem CID 3322444) has the molecular formula C13H10Cl2N2O4S and a molecular weight of 361.21 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-4-methyl-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-4-methyl-3-nitrobenzenesulfonamide
PubChem CID3322444
Molecular FormulaC13H10Cl2N2O4S
Molecular Weight361.21 g/mol
Exact Mass359.97
IUPAC NameN-(2,3-dichlorophenyl)-4-methyl-3-nitrobenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H10Cl2N2O4S/c1-8-5-6-9(7-12(8)17(18)19)22(20,21)16-11-4-2-3-10(14)13(11)15/h2-7,16H,1H3
InChIKeyTWJVESNWRGORMX-UHFFFAOYSA-N
XLogP4.01
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-(2-chloro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 87933653
4-chloro-N-(2-methylphenyl)-3-nitrobenzenesulfonamide
CID 7593889
N-(2-iodophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 563423
2-methyl-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 39846212
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide
CID 39265874
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-methyl-3-nitrobenzenesulfonamide
CID 5350142
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-methyl-4-nitrobenzenesulfonamide
CID 175722759
N-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 3964142
5-amino-N-(2,3-dichlorophenyl)-4-nitrothiophene-2-sulfonamide
CID 80744637
4-methyl-3-nitro-N-propan-2-ylbenzenesulfonamide
CID 2836744
N-(4-bromo-2-fluorophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 4824317
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 1319427

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-4-methyl-3-nitrobenzenesulfonamide?
The IUPAC name of N-(2,3-dichlorophenyl)-4-methyl-3-nitrobenzenesulfonamide (CID 3322444) is N-(2,3-dichlorophenyl)-4-methyl-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-4-methyl-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-4-methyl-3-nitrobenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-(2,3-dichlorophenyl)-4-methyl-3-nitrobenzenesulfonamide?
The InChIKey is TWJVESNWRGORMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O4S/c1-8-5-6-9(7-12(8)17(18)19)22(20,21)16-11-4-2-3-10(14)13(11)15/h2-7,16H,1H3.
What are the key properties of N-(2,3-dichlorophenyl)-4-methyl-3-nitrobenzenesulfonamide?
N-(2,3-dichlorophenyl)-4-methyl-3-nitrobenzenesulfonamide has a molecular weight of 361.21 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-4-methyl-3-nitrobenzenesulfonamide is sourced from PubChem (CID 3322444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).