2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-(pyridin-2-ylmethoxy)benzenesulfonamide

C20H20ClN3O5S2 — CID 42646763

IUPAC2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-(pyridin-2-ylmethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(OCc2ccccn2)ccc1NS(=O)(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O5S2/c21-16-6-4-15(5-7-16)10-12-30(25,26)24-19-9-8-18(13-20(19)31(22,27)28)29-14-17-3-1-2-11-23-17/h1-9,11,13,24H,10,12,14H2,(H2,22,27,28)
InChIKeyVMWSNBVSSUDCBY-UHFFFAOYSA-N
MW481.98 g/mol
LogP2.95
Rot. Bonds9

About 2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-(pyridin-2-ylmethoxy)benzenesulfonamide

2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-(pyridin-2-ylmethoxy)benzenesulfonamide (PubChem CID 42646763) has the molecular formula C20H20ClN3O5S2 and a molecular weight of 481.98 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-(pyridin-2-ylmethoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-(pyridin-2-ylmethoxy)benzenesulfonamide
PubChem CID42646763
Molecular FormulaC20H20ClN3O5S2
Molecular Weight481.98 g/mol
Exact Mass481.05
IUPAC Name2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-(pyridin-2-ylmethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(OCc2ccccn2)ccc1NS(=O)(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O5S2/c21-16-6-4-15(5-7-16)10-12-30(25,26)24-19-9-8-18(13-20(19)31(22,27)28)29-14-17-3-1-2-11-23-17/h1-9,11,13,24H,10,12,14H2,(H2,22,27,28)
InChIKeyVMWSNBVSSUDCBY-UHFFFAOYSA-N
XLogP2.95
TPSA128.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.98
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-(pyridin-2-ylmethoxy)benzenesulfonamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-(pyridin-2-ylmethoxy)benzenesulfonamide (CID 42646763) is 2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-(pyridin-2-ylmethoxy)benzenesulfonamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-(pyridin-2-ylmethoxy)benzenesulfonamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-(pyridin-2-ylmethoxy)benzenesulfonamide is NS(=O)(=O)c1cc(OCc2ccccn2)ccc1NS(=O)(=O)CCc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-(pyridin-2-ylmethoxy)benzenesulfonamide?
The InChIKey is VMWSNBVSSUDCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O5S2/c21-16-6-4-15(5-7-16)10-12-30(25,26)24-19-9-8-18(13-20(19)31(22,27)28)29-14-17-3-1-2-11-23-17/h1-9,11,13,24H,10,12,14H2,(H2,22,27,28).
What are the key properties of 2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-(pyridin-2-ylmethoxy)benzenesulfonamide?
2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-(pyridin-2-ylmethoxy)benzenesulfonamide has a molecular weight of 481.98 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-(pyridin-2-ylmethoxy)benzenesulfonamide is sourced from PubChem (CID 42646763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).