2-(2,5-dichloro-3-methoxy-4-methylphenyl)sulfonylbenzamide

C15H13Cl2NO4S — CID 164870421

IUPAC2-(2,5-dichloro-3-methoxy-4-methylphenyl)sulfonylbenzamide
SMILESCOc1c(C)c(Cl)cc(S(=O)(=O)c2ccccc2C(N)=O)c1Cl
InChIInChI=1S/C15H13Cl2NO4S/c1-8-10(16)7-12(13(17)14(8)22-2)23(20,21)11-6-4-3-5-9(11)15(18)19/h3-7H,1-2H3,(H2,18,19)
InChIKeyUWQYCFSLOLTAEA-UHFFFAOYSA-N
MW374.25 g/mol
LogP3.24
Rot. Bonds4

About 2-(2,5-dichloro-3-methoxy-4-methylphenyl)sulfonylbenzamide

2-(2,5-dichloro-3-methoxy-4-methylphenyl)sulfonylbenzamide (PubChem CID 164870421) has the molecular formula C15H13Cl2NO4S and a molecular weight of 374.25 g/mol. Its IUPAC name is 2-(2,5-dichloro-3-methoxy-4-methylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name2-(2,5-dichloro-3-methoxy-4-methylphenyl)sulfonylbenzamide
PubChem CID164870421
Molecular FormulaC15H13Cl2NO4S
Molecular Weight374.25 g/mol
Exact Mass372.99
IUPAC Name2-(2,5-dichloro-3-methoxy-4-methylphenyl)sulfonylbenzamide
SMILESCOc1c(C)c(Cl)cc(S(=O)(=O)c2ccccc2C(N)=O)c1Cl
InChIInChI=1S/C15H13Cl2NO4S/c1-8-10(16)7-12(13(17)14(8)22-2)23(20,21)11-6-4-3-5-9(11)15(18)19/h3-7H,1-2H3,(H2,18,19)
InChIKeyUWQYCFSLOLTAEA-UHFFFAOYSA-N
XLogP3.24
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-3-methylsulfonylbenzamide
CID 70437297
3-[(2-methoxyphenyl)sulfonylamino]-2-methylbenzamide
CID 86983204
(2-carbamoylphenyl) 5-chloro-2-methylbenzenesulfonate
CID 34031546
2-(trifluoromethylsulfonyl)benzamide
CID 91145939
3-chloro-2-methyl-5-sulfamoylbenzamide
CID 107100898
2-chloro-4-fluoro-3-methoxybenzamide
CID 163198226
2-[2-(5-chloro-2-methylanilino)ethylsulfonyl]benzamide
CID 175806473
3-chloro-2,5-dimethylbenzamide
CID 171008035
2,3-dimethoxybenzamide;hydrate
CID 141005510
1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone
CID 83885925
2-amino-1-(5-chloro-2-hydroxy-3-methoxy-4-methylphenyl)ethanone
CID 84693050
2-amino-3-(benzenesulfonyl)benzamide
CID 66736112

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-3-methoxy-4-methylphenyl)sulfonylbenzamide?
The IUPAC name of 2-(2,5-dichloro-3-methoxy-4-methylphenyl)sulfonylbenzamide (CID 164870421) is 2-(2,5-dichloro-3-methoxy-4-methylphenyl)sulfonylbenzamide.
What is the SMILES notation for 2-(2,5-dichloro-3-methoxy-4-methylphenyl)sulfonylbenzamide?
The canonical SMILES for 2-(2,5-dichloro-3-methoxy-4-methylphenyl)sulfonylbenzamide is COc1c(C)c(Cl)cc(S(=O)(=O)c2ccccc2C(N)=O)c1Cl.
What is the InChIKey of 2-(2,5-dichloro-3-methoxy-4-methylphenyl)sulfonylbenzamide?
The InChIKey is UWQYCFSLOLTAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4S/c1-8-10(16)7-12(13(17)14(8)22-2)23(20,21)11-6-4-3-5-9(11)15(18)19/h3-7H,1-2H3,(H2,18,19).
What are the key properties of 2-(2,5-dichloro-3-methoxy-4-methylphenyl)sulfonylbenzamide?
2-(2,5-dichloro-3-methoxy-4-methylphenyl)sulfonylbenzamide has a molecular weight of 374.25 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-3-methoxy-4-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 164870421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).