2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-ethylacetamide

C17H17Cl2FN2O3S — CID 4035991

IUPAC2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2FN2O3S/c1-2-21-17(23)11-22(10-14-15(19)4-3-5-16(14)20)26(24,25)13-8-6-12(18)7-9-13/h3-9H,2,10-11H2,1H3,(H,21,23)
InChIKeySEFJCNOHLOAZSB-UHFFFAOYSA-N
MW419.31 g/mol
LogP3.46
Rot. Bonds7

About 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-ethylacetamide

2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-ethylacetamide (PubChem CID 4035991) has the molecular formula C17H17Cl2FN2O3S and a molecular weight of 419.31 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-ethylacetamide
PubChem CID4035991
Molecular FormulaC17H17Cl2FN2O3S
Molecular Weight419.31 g/mol
Exact Mass418.03
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2FN2O3S/c1-2-21-17(23)11-22(10-14-15(19)4-3-5-16(14)20)26(24,25)13-8-6-12(18)7-9-13/h3-9H,2,10-11H2,1H3,(H,21,23)
InChIKeySEFJCNOHLOAZSB-UHFFFAOYSA-N
XLogP3.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide
CID 126332352
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 1330837
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 126068222
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 4593539
2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 1276550
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 94864265
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94861263
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126014071
2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 126013513
N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide
CID 126062385
2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 126013776
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 43872007

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-ethylacetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-ethylacetamide (CID 4035991) is 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-ethylacetamide is CCNC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-ethylacetamide?
The InChIKey is SEFJCNOHLOAZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O3S/c1-2-21-17(23)11-22(10-14-15(19)4-3-5-16(14)20)26(24,25)13-8-6-12(18)7-9-13/h3-9H,2,10-11H2,1H3,(H,21,23).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-ethylacetamide?
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-ethylacetamide has a molecular weight of 419.31 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-ethylacetamide is sourced from PubChem (CID 4035991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).