N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide

C17H17ClF2N2O3S — CID 30854882

IUPACN-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
SMILESCN(CCCC(=O)Nc1ccc(F)cc1Cl)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17ClF2N2O3S/c1-22(26(24,25)14-7-4-12(19)5-8-14)10-2-3-17(23)21-16-9-6-13(20)11-15(16)18/h4-9,11H,2-3,10H2,1H3,(H,21,23)
InChIKeyKXYGPFKDPBUVDD-UHFFFAOYSA-N
MW402.85 g/mol
LogP3.66
Rot. Bonds7

About N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide

N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide (PubChem CID 30854882) has the molecular formula C17H17ClF2N2O3S and a molecular weight of 402.85 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
PubChem CID30854882
Molecular FormulaC17H17ClF2N2O3S
Molecular Weight402.85 g/mol
Exact Mass402.06
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
SMILESCN(CCCC(=O)Nc1ccc(F)cc1Cl)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17ClF2N2O3S/c1-22(26(24,25)14-7-4-12(19)5-8-14)10-2-3-17(23)21-16-9-6-13(20)11-15(16)18/h4-9,11H,2-3,10H2,1H3,(H,21,23)
InChIKeyKXYGPFKDPBUVDD-UHFFFAOYSA-N
XLogP3.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.85
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30855362
N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30845467
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-5-methylphenyl)butanamide
CID 60562349
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide
CID 78791940
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 16572198
N-(2-benzylsulfanylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 16561464
N-[(4-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 27660395
N-[2-(2,6-dichlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 60566227
N-(2-but-3-enylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 100731859
N-(2-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4101953
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-iodophenyl)butanamide
CID 2136188
methyl 3-[4-[(4-acetylphenyl)sulfonyl-methylamino]butanoylamino]-4-chlorobenzoate
CID 30932748

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide (CID 30854882) is N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide is CN(CCCC(=O)Nc1ccc(F)cc1Cl)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
The InChIKey is KXYGPFKDPBUVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N2O3S/c1-22(26(24,25)14-7-4-12(19)5-8-14)10-2-3-17(23)21-16-9-6-13(20)11-15(16)18/h4-9,11H,2-3,10H2,1H3,(H,21,23).
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide has a molecular weight of 402.85 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide is sourced from PubChem (CID 30854882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).