2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(trifluoromethyl)phenyl]acetamide

C18H18ClF3N2O4S — CID 92645661

IUPAC2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C18H18ClF3N2O4S/c1-3-24(29(26,27)14-8-9-16(28-2)15(19)10-14)11-17(25)23-13-6-4-12(5-7-13)18(20,21)22/h4-10H,3,11H2,1-2H3,(H,23,25)
InChIKeyRLLLAOXSWAKOQP-UHFFFAOYSA-N
MW450.87 g/mol
LogP4.02
Rot. Bonds7

About 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 92645661) has the molecular formula C18H18ClF3N2O4S and a molecular weight of 450.87 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID92645661
Molecular FormulaC18H18ClF3N2O4S
Molecular Weight450.87 g/mol
Exact Mass450.06
IUPAC Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C18H18ClF3N2O4S/c1-3-24(29(26,27)14-8-9-16(28-2)15(19)10-14)11-17(25)23-13-6-4-12(5-7-13)18(20,21)22/h4-10H,3,11H2,1-2H3,(H,23,25)
InChIKeyRLLLAOXSWAKOQP-UHFFFAOYSA-N
XLogP4.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.87
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 3955191
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100797095
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 43872455
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide
CID 100798613
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chlorophenyl)acetamide
CID 45373905
N-(4-acetamidophenyl)-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-ethylamino]acetamide
CID 37496456
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-(2,2-dimethylpropyl)acetamide
CID 100797099
N'-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108955403
methyl 2-[[2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]acetyl]amino]-4,5-dimethoxybenzoate
CID 92645730
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
CID 3292626
3-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 100560021
3-chloro-N-ethyl-4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 100513964

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 92645661) is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is CCN(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RLLLAOXSWAKOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O4S/c1-3-24(29(26,27)14-8-9-16(28-2)15(19)10-14)11-17(25)23-13-6-4-12(5-7-13)18(20,21)22/h4-10H,3,11H2,1-2H3,(H,23,25).
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 450.87 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 92645661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).