3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide

C17H18ClFN2O3S — CID 113144019

IUPAC3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
SMILESCc1c(Cl)cccc1N(CCC(=O)Nc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C17H18ClFN2O3S/c1-12-15(18)4-3-5-16(12)21(25(2,23)24)11-10-17(22)20-14-8-6-13(19)7-9-14/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyVIBWJAMYLSOUKC-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.58
Rot. Bonds6

About 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide

3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide (PubChem CID 113144019) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
PubChem CID113144019
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC Name3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
SMILESCc1c(Cl)cccc1N(CCC(=O)Nc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C17H18ClFN2O3S/c1-12-15(18)4-3-5-16(12)21(25(2,23)24)11-10-17(22)20-14-8-6-13(19)7-9-14/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyVIBWJAMYLSOUKC-UHFFFAOYSA-N
XLogP3.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1338522
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43881393
3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113143477
3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-fluorophenyl)propanamide
CID 113127603
3-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143714
N-(3-bromophenyl)-4-(3-chloro-2-methyl-N-methylsulfonylanilino)butanamide
CID 100771740
3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113144836
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-propylpropanamide
CID 113143958
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53287837
methyl 3-[4-(3-chloro-2-methyl-N-methylsulfonylanilino)butanoylamino]benzoate
CID 53287672
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113142623
N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143636

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide (CID 113144019) is 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide is Cc1c(Cl)cccc1N(CCC(=O)Nc1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide?
The InChIKey is VIBWJAMYLSOUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-12-15(18)4-3-5-16(12)21(25(2,23)24)11-10-17(22)20-14-8-6-13(19)7-9-14/h3-9H,10-11H2,1-2H3,(H,20,22).
What are the key properties of 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide?
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide has a molecular weight of 384.86 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 113144019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).