4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide

C17H18ClFN2O3S — CID 53285560

IUPAC4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClFN2O3S/c1-25(23,24)21(16-9-7-13(18)8-10-16)11-3-6-17(22)20-15-5-2-4-14(19)12-15/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,20,22)
InChIKeyFTAMFNFLCZZYRW-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.66
Rot. Bonds7

About 4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide

4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide (PubChem CID 53285560) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is 4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide
PubChem CID53285560
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC Name4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClFN2O3S/c1-25(23,24)21(16-9-7-13(18)8-10-16)11-3-6-17(22)20-15-5-2-4-14(19)12-15/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,20,22)
InChIKeyFTAMFNFLCZZYRW-UHFFFAOYSA-N
XLogP3.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloro-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)butanamide
CID 9172941
4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide
CID 53287713
N-(3-chloro-4-fluorophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143620
N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143944
N-(5-chloro-2-methylphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173354
4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide
CID 9173147
N-(4-bromo-3-chlorophenyl)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide
CID 100544170
N-[3-(4-tert-butylbenzoyl)phenyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 28580327
2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1318710
ethyl 2-chloro-5-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]benzoate
CID 92675030
4-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide
CID 9173695
3-(4-chloro-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113143922

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide?
The IUPAC name of 4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide (CID 53285560) is 4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide.
What is the SMILES notation for 4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide?
The canonical SMILES for 4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide is CS(=O)(=O)N(CCCC(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide?
The InChIKey is FTAMFNFLCZZYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-25(23,24)21(16-9-7-13(18)8-10-16)11-3-6-17(22)20-15-5-2-4-14(19)12-15/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,20,22).
What are the key properties of 4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide?
4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide has a molecular weight of 384.86 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 4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide is sourced from PubChem (CID 53285560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).