N-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide

C18H22ClFN4O3S — CID 4884602

IUPACN-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H22ClFN4O3S/c1-4-21-16-8-6-13(28(26,27)24(2)3)10-17(16)22-11-18(25)23-12-5-7-15(20)14(19)9-12/h5-10,21-22H,4,11H2,1-3H3,(H,23,25)
InChIKeyTUZCTPIIVYQBIR-UHFFFAOYSA-N
MW428.92 g/mol
LogP3.21
Rot. Bonds8

About N-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide

N-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide (PubChem CID 4884602) has the molecular formula C18H22ClFN4O3S and a molecular weight of 428.92 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
PubChem CID4884602
Molecular FormulaC18H22ClFN4O3S
Molecular Weight428.92 g/mol
Exact Mass428.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H22ClFN4O3S/c1-4-21-16-8-6-13(28(26,27)24(2)3)10-17(16)22-11-18(25)23-12-5-7-15(20)14(19)9-12/h5-10,21-22H,4,11H2,1-3H3,(H,23,25)
InChIKeyTUZCTPIIVYQBIR-UHFFFAOYSA-N
XLogP3.21
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide (CID 4884602) is N-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide is CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide?
The InChIKey is TUZCTPIIVYQBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN4O3S/c1-4-21-16-8-6-13(28(26,27)24(2)3)10-17(16)22-11-18(25)23-12-5-7-15(20)14(19)9-12/h5-10,21-22H,4,11H2,1-3H3,(H,23,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide has a molecular weight of 428.92 g/mol, XLogP of 3.21, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide is sourced from PubChem (CID 4884602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).