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

C21H17Cl2NO4S — CID 26250465

IUPACN-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H17Cl2NO4S/c1-29(26,27)13-14-2-4-15(5-3-14)21(25)24-19-12-17(23)8-11-20(19)28-18-9-6-16(22)7-10-18/h2-12H,13H2,1H3,(H,24,25)
InChIKeyJCBZJDDKRUCJBX-UHFFFAOYSA-N
MW450.34 g/mol
LogP5.58
Rot. Bonds6

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

N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-(methylsulfonylmethyl)benzamide (PubChem CID 26250465) has the molecular formula C21H17Cl2NO4S and a molecular weight of 450.34 g/mol. Its IUPAC name is N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-(methylsulfonylmethyl)benzamide
PubChem CID26250465
Molecular FormulaC21H17Cl2NO4S
Molecular Weight450.34 g/mol
Exact Mass449.03
IUPAC NameN-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H17Cl2NO4S/c1-29(26,27)13-14-2-4-15(5-3-14)21(25)24-19-12-17(23)8-11-20(19)28-18-9-6-16(22)7-10-18/h2-12H,13H2,1H3,(H,24,25)
InChIKeyJCBZJDDKRUCJBX-UHFFFAOYSA-N
XLogP5.58
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.34
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide
CID 9442397
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 4783224
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(5-chloro-2-phenoxyphenyl)benzamide
CID 21372436
N-(5-chloro-2-phenoxyphenyl)-4-prop-2-enoxybenzamide
CID 9172914
N-(5-chloro-2-phenoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 2973027
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 55330028
6-chloro-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 26267192
N-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 7751072
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-4-(2-cyanoethylsulfamoyl)benzamide
CID 56501680
(4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 18779913

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-(methylsulfonylmethyl)benzamide (CID 26250465) is N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-(methylsulfonylmethyl)benzamide is CS(=O)(=O)Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-(methylsulfonylmethyl)benzamide?
The InChIKey is JCBZJDDKRUCJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO4S/c1-29(26,27)13-14-2-4-15(5-3-14)21(25)24-19-12-17(23)8-11-20(19)28-18-9-6-16(22)7-10-18/h2-12H,13H2,1H3,(H,24,25).
What are the key properties of N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-(methylsulfonylmethyl)benzamide?
N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-(methylsulfonylmethyl)benzamide has a molecular weight of 450.34 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 26250465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).