N-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide

C13H11ClN2O5S — CID 3964142

IUPACN-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11ClN2O5S/c1-21-13-7-6-9(8-12(13)16(17)18)22(19,20)15-11-5-3-2-4-10(11)14/h2-8,15H,1H3
InChIKeyADFKUTABQUXQDS-UHFFFAOYSA-N
MW342.76 g/mol
LogP3.06
Rot. Bonds5

About N-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide

N-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide (PubChem CID 3964142) has the molecular formula C13H11ClN2O5S and a molecular weight of 342.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide
PubChem CID3964142
Molecular FormulaC13H11ClN2O5S
Molecular Weight342.76 g/mol
Exact Mass342.01
IUPAC NameN-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11ClN2O5S/c1-21-13-7-6-9(8-12(13)16(17)18)22(19,20)15-11-5-3-2-4-10(11)14/h2-8,15H,1H3
InChIKeyADFKUTABQUXQDS-UHFFFAOYSA-N
XLogP3.06
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 53.06
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'}

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Related Compounds

4-methoxy-3-nitro-N-(2-phenylphenyl)benzenesulfonamide
CID 7939180
4-methoxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
CID 4801341
N-(4-chloro-3-nitrophenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 18278938
4-methoxy-3-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzenesulfonamide
CID 16962565
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 121315036
3-chloro-N-(2-methoxy-5-methylphenyl)-4-methyl-5-nitrobenzenesulfonamide
CID 8513789
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
N-(4-fluoro-2-methylphenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 4815997
N-(2-chlorophenyl)-4-(cyclopropylamino)-3-nitrobenzenesulfonamide
CID 4782863
N,4-dimethoxy-3-nitrobenzenesulfonamide
CID 60700810
4-chloro-N-(2-methylphenyl)-3-nitrobenzenesulfonamide
CID 7593889
4-methoxy-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-nitrobenzenesulfonamide
CID 26966142

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide (CID 3964142) is N-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide?
The InChIKey is ADFKUTABQUXQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O5S/c1-21-13-7-6-9(8-12(13)16(17)18)22(19,20)15-11-5-3-2-4-10(11)14/h2-8,15H,1H3.
What are the key properties of N-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide?
N-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide has a molecular weight of 342.76 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide is sourced from PubChem (CID 3964142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).