5-chloro-2-(3-chlorophenoxy)-N-methylsulfonylbenzamide

C14H11Cl2NO4S — CID 146154870

IUPAC5-chloro-2-(3-chlorophenoxy)-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(Cl)ccc1Oc1cccc(Cl)c1
InChIInChI=1S/C14H11Cl2NO4S/c1-22(19,20)17-14(18)12-8-10(16)5-6-13(12)21-11-4-2-3-9(15)7-11/h2-8H,1H3,(H,17,18)
InChIKeyOMSIGJLSVAYHQE-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.48
Rot. Bonds4

About 5-chloro-2-(3-chlorophenoxy)-N-methylsulfonylbenzamide

5-chloro-2-(3-chlorophenoxy)-N-methylsulfonylbenzamide (PubChem CID 146154870) has the molecular formula C14H11Cl2NO4S and a molecular weight of 360.22 g/mol. Its IUPAC name is 5-chloro-2-(3-chlorophenoxy)-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name5-chloro-2-(3-chlorophenoxy)-N-methylsulfonylbenzamide
PubChem CID146154870
Molecular FormulaC14H11Cl2NO4S
Molecular Weight360.22 g/mol
Exact Mass358.98
IUPAC Name5-chloro-2-(3-chlorophenoxy)-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(Cl)ccc1Oc1cccc(Cl)c1
InChIInChI=1S/C14H11Cl2NO4S/c1-22(19,20)17-14(18)12-8-10(16)5-6-13(12)21-11-4-2-3-9(15)7-11/h2-8H,1H3,(H,17,18)
InChIKeyOMSIGJLSVAYHQE-UHFFFAOYSA-N
XLogP3.48
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 66767003
5-chloro-2-(3-chlorophenoxy)benzenecarbothioamide
CID 63520511
4-(3-cyanophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 66766760
2-(3-chlorophenoxy)benzoyl bromide
CID 139662791
4-[1-[[5-chloro-2-(3-fluorophenoxy)benzoyl]amino]ethyl]benzoic acid
CID 73016543
1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone
CID 82133162
4-(2,3-dichlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 66667432
2-(3-chlorophenoxy)-4-methylbenzoic acid
CID 55107381
4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 56644738
4-(3-chloro-4-fluorophenoxy)-N-methylsulfonylbenzamide
CID 66767262
(3-chlorophenyl) hydrogen sulfate
CID 69041197
3-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 146154395

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-chlorophenoxy)-N-methylsulfonylbenzamide?
The IUPAC name of 5-chloro-2-(3-chlorophenoxy)-N-methylsulfonylbenzamide (CID 146154870) is 5-chloro-2-(3-chlorophenoxy)-N-methylsulfonylbenzamide.
What is the SMILES notation for 5-chloro-2-(3-chlorophenoxy)-N-methylsulfonylbenzamide?
The canonical SMILES for 5-chloro-2-(3-chlorophenoxy)-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1cc(Cl)ccc1Oc1cccc(Cl)c1.
What is the InChIKey of 5-chloro-2-(3-chlorophenoxy)-N-methylsulfonylbenzamide?
The InChIKey is OMSIGJLSVAYHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO4S/c1-22(19,20)17-14(18)12-8-10(16)5-6-13(12)21-11-4-2-3-9(15)7-11/h2-8H,1H3,(H,17,18).
What are the key properties of 5-chloro-2-(3-chlorophenoxy)-N-methylsulfonylbenzamide?
5-chloro-2-(3-chlorophenoxy)-N-methylsulfonylbenzamide has a molecular weight of 360.22 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-chlorophenoxy)-N-methylsulfonylbenzamide is sourced from PubChem (CID 146154870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).