4-(2,5-dichlorophenoxy)-2-methylbenzenesulfonamide

C13H11Cl2NO3S — CID 43436524

IUPAC4-(2,5-dichlorophenoxy)-2-methylbenzenesulfonamide
SMILESCc1cc(Oc2cc(Cl)ccc2Cl)ccc1S(N)(=O)=O
InChIInChI=1S/C13H11Cl2NO3S/c1-8-6-10(3-5-13(8)20(16,17)18)19-12-7-9(14)2-4-11(12)15/h2-7H,1H3,(H2,16,17,18)
InChIKeyVUNVPOKACOBJFO-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.74
Rot. Bonds3

About 4-(2,5-dichlorophenoxy)-2-methylbenzenesulfonamide

4-(2,5-dichlorophenoxy)-2-methylbenzenesulfonamide (PubChem CID 43436524) has the molecular formula C13H11Cl2NO3S and a molecular weight of 332.21 g/mol. Its IUPAC name is 4-(2,5-dichlorophenoxy)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dichlorophenoxy)-2-methylbenzenesulfonamide
PubChem CID43436524
Molecular FormulaC13H11Cl2NO3S
Molecular Weight332.21 g/mol
Exact Mass330.98
IUPAC Name4-(2,5-dichlorophenoxy)-2-methylbenzenesulfonamide
SMILESCc1cc(Oc2cc(Cl)ccc2Cl)ccc1S(N)(=O)=O
InChIInChI=1S/C13H11Cl2NO3S/c1-8-6-10(3-5-13(8)20(16,17)18)19-12-7-9(14)2-4-11(12)15/h2-7H,1H3,(H2,16,17,18)
InChIKeyVUNVPOKACOBJFO-UHFFFAOYSA-N
XLogP3.74
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dichlorophenoxy)-2-methylaniline
CID 43436377
4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide
CID 43436537
4-(2-methoxyphenoxy)-2-methylbenzenesulfonamide
CID 43436547
4-(2-bromo-4-fluorophenoxy)-2-methylbenzenesulfonamide
CID 43436555
4-(2-chloro-5-methylphenoxy)benzenesulfonamide
CID 43173861
4-(4-cyanophenoxy)-2-methylbenzenesulfonamide
CID 43436544
4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbenzenesulfonamide
CID 43436560
4-(3-ethoxyphenoxy)-2-methylbenzenesulfonamide
CID 62337650
5-amino-2-(4-chloro-3-methylphenoxy)-N-methylbenzenesulfonamide
CID 103287763
4-(2,4-dichlorophenoxy)benzenesulfonamide
CID 43342686
4-[3-(methoxymethyl)phenoxy]-2-methylbenzenesulfonamide
CID 63985143
4-(2-fluoroethoxy)-2-methylbenzenesulfonamide
CID 80694123

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenoxy)-2-methylbenzenesulfonamide?
The IUPAC name of 4-(2,5-dichlorophenoxy)-2-methylbenzenesulfonamide (CID 43436524) is 4-(2,5-dichlorophenoxy)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2,5-dichlorophenoxy)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-(2,5-dichlorophenoxy)-2-methylbenzenesulfonamide is Cc1cc(Oc2cc(Cl)ccc2Cl)ccc1S(N)(=O)=O.
What is the InChIKey of 4-(2,5-dichlorophenoxy)-2-methylbenzenesulfonamide?
The InChIKey is VUNVPOKACOBJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3S/c1-8-6-10(3-5-13(8)20(16,17)18)19-12-7-9(14)2-4-11(12)15/h2-7H,1H3,(H2,16,17,18).
What are the key properties of 4-(2,5-dichlorophenoxy)-2-methylbenzenesulfonamide?
4-(2,5-dichlorophenoxy)-2-methylbenzenesulfonamide has a molecular weight of 332.21 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenoxy)-2-methylbenzenesulfonamide is sourced from PubChem (CID 43436524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).