3-(3,4-dichlorophenyl)-N-[4-(2-methoxyphenoxy)phenyl]sulfonylbenzamide

C26H19Cl2NO5S — CID 53473480

IUPAC3-(3,4-dichlorophenyl)-N-[4-(2-methoxyphenoxy)phenyl]sulfonylbenzamide
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)NC(=O)c2cccc(-c3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C26H19Cl2NO5S/c1-33-24-7-2-3-8-25(24)34-20-10-12-21(13-11-20)35(31,32)29-26(30)19-6-4-5-17(15-19)18-9-14-22(27)23(28)16-18/h2-16H,1H3,(H,29,30)
InChIKeyALGDADFQFCMFIE-UHFFFAOYSA-N
MW528.41 g/mol
LogP6.58
Rot. Bonds7

About 3-(3,4-dichlorophenyl)-N-[4-(2-methoxyphenoxy)phenyl]sulfonylbenzamide

3-(3,4-dichlorophenyl)-N-[4-(2-methoxyphenoxy)phenyl]sulfonylbenzamide (PubChem CID 53473480) has the molecular formula C26H19Cl2NO5S and a molecular weight of 528.41 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-[4-(2-methoxyphenoxy)phenyl]sulfonylbenzamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-[4-(2-methoxyphenoxy)phenyl]sulfonylbenzamide
PubChem CID53473480
Molecular FormulaC26H19Cl2NO5S
Molecular Weight528.41 g/mol
Exact Mass527.04
IUPAC Name3-(3,4-dichlorophenyl)-N-[4-(2-methoxyphenoxy)phenyl]sulfonylbenzamide
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)NC(=O)c2cccc(-c3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C26H19Cl2NO5S/c1-33-24-7-2-3-8-25(24)34-20-10-12-21(13-11-20)35(31,32)29-26(30)19-6-4-5-17(15-19)18-9-14-22(27)23(28)16-18/h2-16H,1H3,(H,29,30)
InChIKeyALGDADFQFCMFIE-UHFFFAOYSA-N
XLogP6.58
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.41
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dichlorophenyl)-N-[4-(4-ethoxyphenoxy)phenyl]sulfonylbenzamide
CID 53473572
N-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide
CID 3539405
N-(benzenesulfonyl)-3,4-dichlorobenzamide
CID 47108670
4-phenoxy-N-(4-phenylphenyl)sulfonylbenzamide
CID 53473228
N-(4-methoxyphenyl)sulfonyl-3-nitrobenzamide
CID 22007146
3,4,5-trimethoxy-N-(3-phenylphenyl)sulfonylbenzamide
CID 91328901
N-(3,4-dimethoxyphenyl)sulfonyl-3-fluorobenzamide
CID 75401968
(2R)-2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]propanoate
CID 7045621
N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide
CID 139085848
2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]-3-methylbutanoic acid
CID 44669136
2-methoxy-N-(4-propan-2-ylphenyl)sulfonylbenzamide
CID 174958314
N-(3-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide
CID 53116939

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-[4-(2-methoxyphenoxy)phenyl]sulfonylbenzamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-[4-(2-methoxyphenoxy)phenyl]sulfonylbenzamide (CID 53473480) is 3-(3,4-dichlorophenyl)-N-[4-(2-methoxyphenoxy)phenyl]sulfonylbenzamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-[4-(2-methoxyphenoxy)phenyl]sulfonylbenzamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-[4-(2-methoxyphenoxy)phenyl]sulfonylbenzamide is COc1ccccc1Oc1ccc(S(=O)(=O)NC(=O)c2cccc(-c3ccc(Cl)c(Cl)c3)c2)cc1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-[4-(2-methoxyphenoxy)phenyl]sulfonylbenzamide?
The InChIKey is ALGDADFQFCMFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2NO5S/c1-33-24-7-2-3-8-25(24)34-20-10-12-21(13-11-20)35(31,32)29-26(30)19-6-4-5-17(15-19)18-9-14-22(27)23(28)16-18/h2-16H,1H3,(H,29,30).
What are the key properties of 3-(3,4-dichlorophenyl)-N-[4-(2-methoxyphenoxy)phenyl]sulfonylbenzamide?
3-(3,4-dichlorophenyl)-N-[4-(2-methoxyphenoxy)phenyl]sulfonylbenzamide has a molecular weight of 528.41 g/mol, XLogP of 6.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-[4-(2-methoxyphenoxy)phenyl]sulfonylbenzamide is sourced from PubChem (CID 53473480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).