2-(2-chloro-5-methylphenoxy)-5-nitrobenzenesulfonamide

C13H11ClN2O5S — CID 4851626

IUPAC2-(2-chloro-5-methylphenoxy)-5-nitrobenzenesulfonamide
SMILESCc1ccc(Cl)c(Oc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)c1
InChIInChI=1S/C13H11ClN2O5S/c1-8-2-4-10(14)12(6-8)21-11-5-3-9(16(17)18)7-13(11)22(15,19)20/h2-7H,1H3,(H2,15,19,20)
InChIKeyWPYHXQJWZFDZMZ-UHFFFAOYSA-N
MW342.76 g/mol
LogP3.00
Rot. Bonds4

About 2-(2-chloro-5-methylphenoxy)-5-nitrobenzenesulfonamide

2-(2-chloro-5-methylphenoxy)-5-nitrobenzenesulfonamide (PubChem CID 4851626) has the molecular formula C13H11ClN2O5S and a molecular weight of 342.76 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-5-nitrobenzenesulfonamide
PubChem CID4851626
Molecular FormulaC13H11ClN2O5S
Molecular Weight342.76 g/mol
Exact Mass342.01
IUPAC Name2-(2-chloro-5-methylphenoxy)-5-nitrobenzenesulfonamide
SMILESCc1ccc(Cl)c(Oc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)c1
InChIInChI=1S/C13H11ClN2O5S/c1-8-2-4-10(14)12(6-8)21-11-5-3-9(16(17)18)7-13(11)22(15,19)20/h2-7H,1H3,(H2,15,19,20)
InChIKeyWPYHXQJWZFDZMZ-UHFFFAOYSA-N
XLogP3.00
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 53.00
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

2-(2-chlorophenoxy)-5-nitrobenzenesulfonamide
CID 16757271
1-chloro-2-(2,4-dinitrophenoxy)-4-methylbenzene
CID 9111258
2-bromo-1-(2-chloro-4-nitrophenoxy)-4-methylbenzene
CID 29032684
2-(2-bromophenoxy)-5-nitrobenzenesulfonamide
CID 16757272
2-(2-chloro-5-nitrophenoxy)-4-methylbenzoic acid
CID 63991598
2-(4-ethoxyphenoxy)-5-nitrobenzenesulfonamide
CID 16756875
4-(2-chloro-5-methylphenoxy)benzenesulfonamide
CID 43173861
2-chloro-1-(4-methylphenoxy)-4-nitrobenzene
CID 2210667
2-(2-methylpropoxy)-5-nitrobenzenesulfonamide
CID 43164364
1-[2-(5-methyl-2-nitrophenoxy)-5-nitrophenyl]sulfonylpiperazine
CID 59260842
1-[3-chloro-4-(2-chloro-5-nitrophenoxy)phenyl]ethanone
CID 63991975
2-(2-methylsulfonylethoxy)-5-nitrobenzenesulfonamide
CID 61058675

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-5-nitrobenzenesulfonamide (CID 4851626) is 2-(2-chloro-5-methylphenoxy)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-5-nitrobenzenesulfonamide is Cc1ccc(Cl)c(Oc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-5-nitrobenzenesulfonamide?
The InChIKey is WPYHXQJWZFDZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O5S/c1-8-2-4-10(14)12(6-8)21-11-5-3-9(16(17)18)7-13(11)22(15,19)20/h2-7H,1H3,(H2,15,19,20).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-5-nitrobenzenesulfonamide?
2-(2-chloro-5-methylphenoxy)-5-nitrobenzenesulfonamide has a molecular weight of 342.76 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 4851626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).