2-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methylsulfonylbenzamide

C20H15Cl2NO4S — CID 34168356

IUPAC2-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c1
InChIInChI=1S/C20H15Cl2NO4S/c1-28(25,26)15-10-11-17(21)16(12-15)20(24)23-13-6-8-14(9-7-13)27-19-5-3-2-4-18(19)22/h2-12H,1H3,(H,23,24)
InChIKeyUQUHSWCIVHANCR-UHFFFAOYSA-N
MW436.32 g/mol
LogP5.44
Rot. Bonds5

About 2-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methylsulfonylbenzamide

2-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methylsulfonylbenzamide (PubChem CID 34168356) has the molecular formula C20H15Cl2NO4S and a molecular weight of 436.32 g/mol. Its IUPAC name is 2-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methylsulfonylbenzamide
PubChem CID34168356
Molecular FormulaC20H15Cl2NO4S
Molecular Weight436.32 g/mol
Exact Mass435.01
IUPAC Name2-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c1
InChIInChI=1S/C20H15Cl2NO4S/c1-28(25,26)15-10-11-17(21)16(12-15)20(24)23-13-6-8-14(9-7-13)27-19-5-3-2-4-18(19)22/h2-12H,1H3,(H,23,24)
InChIKeyUQUHSWCIVHANCR-UHFFFAOYSA-N
XLogP5.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.32
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide
CID 7899858
2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 30753430
2-chloro-5-methylsulfonyl-N-(4-nitrophenyl)benzamide
CID 39753595
2-chloro-N-(4-cyanophenyl)-5-methylsulfonylbenzamide
CID 26289868
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-chloro-5-methylsulfonylbenzoate
CID 2503248
2-chloro-N-(4-methylsulfonylphenyl)-5-sulfanylbenzamide
CID 107021766
N-[4-(2-chlorophenoxy)phenyl]-3-methylbut-2-enamide
CID 17488433
N-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55759235
2-chloro-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-methylsulfonylbenzamide
CID 55763392
N-[4-(benzimidazol-1-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
CID 78803455
2-chloro-5-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 78769975
3-ethoxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 18093536

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methylsulfonylbenzamide (CID 34168356) is 2-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c1.
What is the InChIKey of 2-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methylsulfonylbenzamide?
The InChIKey is UQUHSWCIVHANCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NO4S/c1-28(25,26)15-10-11-17(21)16(12-15)20(24)23-13-6-8-14(9-7-13)27-19-5-3-2-4-18(19)22/h2-12H,1H3,(H,23,24).
What are the key properties of 2-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methylsulfonylbenzamide?
2-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methylsulfonylbenzamide has a molecular weight of 436.32 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methylsulfonylbenzamide is sourced from PubChem (CID 34168356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).