2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide

C12H17ClN2O3S — CID 4593539

IUPAC2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O3S/c1-3-14-12(16)9-15(4-2)19(17,18)11-7-5-10(13)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyRBIIJVSQXHUREY-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.49
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide

2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide (PubChem CID 4593539) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide
PubChem CID4593539
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O3S/c1-3-14-12(16)9-15(4-2)19(17,18)11-7-5-10(13)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyRBIIJVSQXHUREY-UHFFFAOYSA-N
XLogP1.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 3894856
N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 4301159
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide
CID 1247881
ethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate
CID 24678382
N-[1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 43872409
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 28547139
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-ethylacetamide
CID 4035991
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 2224277
2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 64609125
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(2,5-difluorophenyl)acetamide
CID 28547200
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N-ethylacetamide
CID 24678373
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 45371878

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide (CID 4593539) is 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide?
The InChIKey is RBIIJVSQXHUREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-3-14-12(16)9-15(4-2)19(17,18)11-7-5-10(13)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,14,16).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide?
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide has a molecular weight of 304.80 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 4593539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).