2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide

C11H15ClN2O4S — CID 904036

IUPAC2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide
SMILESCNC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C11H15ClN2O4S/c1-13-11(15)7-14(19(3,16)17)9-6-8(12)4-5-10(9)18-2/h4-6H,7H2,1-3H3,(H,13,15)
InChIKeyBKXIBCDEEBPDJO-UHFFFAOYSA-N
MW306.77 g/mol
LogP0.86
Rot. Bonds5

About 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide (PubChem CID 904036) has the molecular formula C11H15ClN2O4S and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide
PubChem CID904036
Molecular FormulaC11H15ClN2O4S
Molecular Weight306.77 g/mol
Exact Mass306.04
IUPAC Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide
SMILESCNC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C11H15ClN2O4S/c1-13-11(15)7-14(19(3,16)17)9-6-8(12)4-5-10(9)18-2/h4-6H,7H2,1-3H3,(H,13,15)
InChIKeyBKXIBCDEEBPDJO-UHFFFAOYSA-N
XLogP0.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 53278773
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 998403
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cycloheptylacetamide
CID 2177494
N-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
CID 2175101
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 30222080
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 3470704
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113155086
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2890597
2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 126030283
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1343105
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43910263
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
CID 98230781

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide?
The IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide (CID 904036) is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide?
The canonical SMILES for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide is CNC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O.
What is the InChIKey of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide?
The InChIKey is BKXIBCDEEBPDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S/c1-13-11(15)7-14(19(3,16)17)9-6-8(12)4-5-10(9)18-2/h4-6H,7H2,1-3H3,(H,13,15).
What are the key properties of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide?
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide has a molecular weight of 306.77 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide is sourced from PubChem (CID 904036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).