N-(3-chloro-4-fluorophenyl)-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide

C18H15ClFN3O3S — CID 60522633

IUPACN-(3-chloro-4-fluorophenyl)-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide
SMILESN#Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C2CC2)cc1
InChIInChI=1S/C18H15ClFN3O3S/c19-16-9-13(3-8-17(16)20)22-18(24)11-23(14-4-5-14)27(25,26)15-6-1-12(10-21)2-7-15/h1-3,6-9,14H,4-5,11H2,(H,22,24)
InChIKeyDXFBXEZIZCMLIH-UHFFFAOYSA-N
MW407.85 g/mol
LogP3.14
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide

N-(3-chloro-4-fluorophenyl)-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide (PubChem CID 60522633) has the molecular formula C18H15ClFN3O3S and a molecular weight of 407.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide
PubChem CID60522633
Molecular FormulaC18H15ClFN3O3S
Molecular Weight407.85 g/mol
Exact Mass407.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide
SMILESN#Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C2CC2)cc1
InChIInChI=1S/C18H15ClFN3O3S/c19-16-9-13(3-8-17(16)20)22-18(24)11-23(14-4-5-14)27(25,26)15-6-1-12(10-21)2-7-15/h1-3,6-9,14H,4-5,11H2,(H,22,24)
InChIKeyDXFBXEZIZCMLIH-UHFFFAOYSA-N
XLogP3.14
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-fluorophenyl)-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chlorophenyl)methyl]-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide
CID 60522679
2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 60522802
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 26941957
N-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 987644
1-N-(3-chloro-4-fluorophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109143222
2-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)acetamide
CID 9099605
N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1002076
N-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126034449
2-[benzenesulfonyl(cyclohexyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1331347
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide
CID 31763987
N-(3-chloro-4-fluorophenyl)-3-[cyclopentyl(methylsulfonyl)amino]propanamide
CID 113137304
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2,4-difluorophenyl)acetamide
CID 1330856

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide (CID 60522633) is N-(3-chloro-4-fluorophenyl)-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide is N#Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C2CC2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide?
The InChIKey is DXFBXEZIZCMLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3S/c19-16-9-13(3-8-17(16)20)22-18(24)11-23(14-4-5-14)27(25,26)15-6-1-12(10-21)2-7-15/h1-3,6-9,14H,4-5,11H2,(H,22,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide has a molecular weight of 407.85 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide is sourced from PubChem (CID 60522633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).