N-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide

C12H8Cl2N2O4S — CID 779344

IUPACN-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H8Cl2N2O4S/c13-8-5-9(14)7-10(6-8)15-21(19,20)12-4-2-1-3-11(12)16(17)18/h1-7,15H
InChIKeyRKWRGMIXDFJWGJ-UHFFFAOYSA-N
MW347.18 g/mol
LogP3.70
Rot. Bonds4

About N-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide

N-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide (PubChem CID 779344) has the molecular formula C12H8Cl2N2O4S and a molecular weight of 347.18 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide
PubChem CID779344
Molecular FormulaC12H8Cl2N2O4S
Molecular Weight347.18 g/mol
Exact Mass345.96
IUPAC NameN-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H8Cl2N2O4S/c13-8-5-9(14)7-10(6-8)15-21(19,20)12-4-2-1-3-11(12)16(17)18/h1-7,15H
InChIKeyRKWRGMIXDFJWGJ-UHFFFAOYSA-N
XLogP3.70
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 53.70
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-(3,5-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 779865
N-(3-chlorophenyl)-2-methyl-5-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 26979178
N-(4-iodophenyl)-2-nitrobenzenesulfonamide
CID 1380183
N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzenesulfonamide
CID 64787891
N-(4-bromo-3-chlorophenyl)-2-nitrobenzenesulfonamide
CID 4876033
N-(3-bromo-4-fluorophenyl)-2-nitrobenzenesulfonamide
CID 115663224
2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-nitrobenzenesulfonamide
CID 2176221
N-(3,5-dichlorophenyl)-2-methylsulfonylbenzenesulfonamide
CID 55532986
5-bromo-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide
CID 61016331
4-chloro-N-(4-methylphenyl)-2-nitrobenzenesulfonamide
CID 39992748
1-[3-[(2-nitrophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 31075653

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide (CID 779344) is N-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide?
The InChIKey is RKWRGMIXDFJWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O4S/c13-8-5-9(14)7-10(6-8)15-21(19,20)12-4-2-1-3-11(12)16(17)18/h1-7,15H.
What are the key properties of N-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide?
N-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide has a molecular weight of 347.18 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 779344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).