2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N,N-diethylacetamide

C14H21ClN2O4S — CID 37498559

IUPAC2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H21ClN2O4S/c1-5-17(6-2)14(18)10-16(3)22(19,20)11-7-8-13(21-4)12(15)9-11/h7-9H,5-6,10H2,1-4H3
InChIKeyRHXZCCUWVQIHAB-UHFFFAOYSA-N
MW348.85 g/mol
LogP1.84
Rot. Bonds7

About 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N,N-diethylacetamide

2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N,N-diethylacetamide (PubChem CID 37498559) has the molecular formula C14H21ClN2O4S and a molecular weight of 348.85 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N,N-diethylacetamide
PubChem CID37498559
Molecular FormulaC14H21ClN2O4S
Molecular Weight348.85 g/mol
Exact Mass348.09
IUPAC Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H21ClN2O4S/c1-5-17(6-2)14(18)10-16(3)22(19,20)11-7-8-13(21-4)12(15)9-11/h7-9H,5-6,10H2,1-4H3
InChIKeyRHXZCCUWVQIHAB-UHFFFAOYSA-N
XLogP1.84
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 45371831
2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 64608778
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(4-ethylphenyl)methylideneamino]acetamide
CID 5217323
2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide
CID 44580864
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28547003
3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 37497114
2-(2,4-dichloro-5-methoxy-N-methylsulfonylanilino)-N,N-diethylacetamide
CID 3458989
5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzamide
CID 34040667
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 6037281
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 92517130
3-chloro-N-ethyl-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 92645686
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetate
CID 6957292

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N,N-diethylacetamide (CID 37498559) is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N,N-diethylacetamide?
The InChIKey is RHXZCCUWVQIHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4S/c1-5-17(6-2)14(18)10-16(3)22(19,20)11-7-8-13(21-4)12(15)9-11/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N,N-diethylacetamide?
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N,N-diethylacetamide has a molecular weight of 348.85 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 37498559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).