N-(3,4-difluorophenyl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide

C17H18F2N2O3S — CID 28557411

IUPACN-(3,4-difluorophenyl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide
SMILESCN(C)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H18F2N2O3S/c1-21(2)25(23,24)14-7-3-12(4-8-14)5-10-17(22)20-13-6-9-15(18)16(19)11-13/h3-4,6-9,11H,5,10H2,1-2H3,(H,20,22)
InChIKeyKGCDAQPOQDZPQF-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.79
Rot. Bonds6

About N-(3,4-difluorophenyl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide

N-(3,4-difluorophenyl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide (PubChem CID 28557411) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide
PubChem CID28557411
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC NameN-(3,4-difluorophenyl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide
SMILESCN(C)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H18F2N2O3S/c1-21(2)25(23,24)14-7-3-12(4-8-14)5-10-17(22)20-13-6-9-15(18)16(19)11-13/h3-4,6-9,11H,5,10H2,1-2H3,(H,20,22)
InChIKeyKGCDAQPOQDZPQF-UHFFFAOYSA-N
XLogP2.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 28557405
3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 29207331
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 2440554
3-(3,4-difluorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 160701153
3-(3,5-dimethoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 26704008
N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 9084347
3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 28557399
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide
CID 18195960
3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide
CID 43050377
2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 28543265
N-(3-fluoro-4-hydroxyphenyl)-3-(4-methylphenyl)propanamide
CID 64780504

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide (CID 28557411) is N-(3,4-difluorophenyl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide is CN(C)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide?
The InChIKey is KGCDAQPOQDZPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-21(2)25(23,24)14-7-3-12(4-8-14)5-10-17(22)20-13-6-9-15(18)16(19)11-13/h3-4,6-9,11H,5,10H2,1-2H3,(H,20,22).
What are the key properties of N-(3,4-difluorophenyl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide?
N-(3,4-difluorophenyl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide has a molecular weight of 368.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 28557411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).