2,3-dichloro-4-[(4-chlorophenyl)methoxy]benzenesulfonamide

C13H10Cl3NO3S — CID 43342544

IUPAC2,3-dichloro-4-[(4-chlorophenyl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1Cl
InChIInChI=1S/C13H10Cl3NO3S/c14-9-3-1-8(2-4-9)7-20-10-5-6-11(21(17,18)19)13(16)12(10)15/h1-6H,7H2,(H2,17,18,19)
InChIKeyCKVWPAGYJNMUDH-UHFFFAOYSA-N
MW366.65 g/mol
LogP3.87
Rot. Bonds4

About 2,3-dichloro-4-[(4-chlorophenyl)methoxy]benzenesulfonamide

2,3-dichloro-4-[(4-chlorophenyl)methoxy]benzenesulfonamide (PubChem CID 43342544) has the molecular formula C13H10Cl3NO3S and a molecular weight of 366.65 g/mol. Its IUPAC name is 2,3-dichloro-4-[(4-chlorophenyl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-4-[(4-chlorophenyl)methoxy]benzenesulfonamide
PubChem CID43342544
Molecular FormulaC13H10Cl3NO3S
Molecular Weight366.65 g/mol
Exact Mass364.94
IUPAC Name2,3-dichloro-4-[(4-chlorophenyl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1Cl
InChIInChI=1S/C13H10Cl3NO3S/c14-9-3-1-8(2-4-9)7-20-10-5-6-11(21(17,18)19)13(16)12(10)15/h1-6H,7H2,(H2,17,18,19)
InChIKeyCKVWPAGYJNMUDH-UHFFFAOYSA-N
XLogP3.87
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.65
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-[(4-chlorophenyl)methoxy]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-4-[(4-chlorophenyl)methoxy]benzenesulfonamide (CID 43342544) is 2,3-dichloro-4-[(4-chlorophenyl)methoxy]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-4-[(4-chlorophenyl)methoxy]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-4-[(4-chlorophenyl)methoxy]benzenesulfonamide is NS(=O)(=O)c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-[(4-chlorophenyl)methoxy]benzenesulfonamide?
The InChIKey is CKVWPAGYJNMUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3NO3S/c14-9-3-1-8(2-4-9)7-20-10-5-6-11(21(17,18)19)13(16)12(10)15/h1-6H,7H2,(H2,17,18,19).
What are the key properties of 2,3-dichloro-4-[(4-chlorophenyl)methoxy]benzenesulfonamide?
2,3-dichloro-4-[(4-chlorophenyl)methoxy]benzenesulfonamide has a molecular weight of 366.65 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-[(4-chlorophenyl)methoxy]benzenesulfonamide is sourced from PubChem (CID 43342544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).