2-(N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetamide

C15H14Cl2N2O3S — CID 50889999

IUPAC2-(N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetamide
SMILESCc1cccc(N(CC(N)=O)S(=O)(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C15H14Cl2N2O3S/c1-10-3-2-4-12(7-10)19(9-15(18)20)23(21,22)14-8-11(16)5-6-13(14)17/h2-8H,9H2,1H3,(H2,18,20)
InChIKeyHAHIXMDGQVCWLE-UHFFFAOYSA-N
MW373.26 g/mol
LogP2.98
Rot. Bonds5

About 2-(N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetamide

2-(N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetamide (PubChem CID 50889999) has the molecular formula C15H14Cl2N2O3S and a molecular weight of 373.26 g/mol. Its IUPAC name is 2-(N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetamide.

Molecular Properties

Compound Name2-(N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetamide
PubChem CID50889999
Molecular FormulaC15H14Cl2N2O3S
Molecular Weight373.26 g/mol
Exact Mass372.01
IUPAC Name2-(N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetamide
SMILESCc1cccc(N(CC(N)=O)S(=O)(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C15H14Cl2N2O3S/c1-10-3-2-4-12(7-10)19(9-15(18)20)23(21,22)14-8-11(16)5-6-13(14)17/h2-8H,9H2,1H3,(H2,18,20)
InChIKeyHAHIXMDGQVCWLE-UHFFFAOYSA-N
XLogP2.98
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(2,5-dichlorophenyl)sulfonylanilino)acetamide
CID 50889600
2-(3-chloro-N-(2,5-dichlorophenyl)sulfonyl-2-methylanilino)acetamide
CID 50895797
2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide
CID 50895755
2-(N-(2,5-dichlorophenyl)sulfonyl-3-fluoroanilino)acetyl chloride
CID 50890453
2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride
CID 50895573
ethyl 2-[N-(2,5-dichlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetate
CID 50893125
2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 50889602
ethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate
CID 50895540
ethyl 2-(3-chloro-N-(2,5-dichlorophenyl)sulfonyl-4-methylanilino)acetate
CID 100508031
5-[carboxymethyl-(2,5-dichlorophenyl)sulfonylamino]-2-chlorobenzoic acid
CID 50894659
2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 2992480
methyl 2-(N-(2,5-dichlorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetate
CID 50894710

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetamide?
The IUPAC name of 2-(N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetamide (CID 50889999) is 2-(N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetamide.
What is the SMILES notation for 2-(N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetamide?
The canonical SMILES for 2-(N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetamide is Cc1cccc(N(CC(N)=O)S(=O)(=O)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 2-(N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetamide?
The InChIKey is HAHIXMDGQVCWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3S/c1-10-3-2-4-12(7-10)19(9-15(18)20)23(21,22)14-8-11(16)5-6-13(14)17/h2-8H,9H2,1H3,(H2,18,20).
What are the key properties of 2-(N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetamide?
2-(N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetamide has a molecular weight of 373.26 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetamide is sourced from PubChem (CID 50889999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).