3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-[(dimethylamino)methyl]phenyl]propanamide

C18H21F2N3O3S — CID 86979332

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-[(dimethylamino)methyl]phenyl]propanamide
SMILESCN(C)Cc1cccc(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C18H21F2N3O3S/c1-23(2)12-13-4-3-5-14(10-13)22-18(24)8-9-21-27(25,26)15-6-7-16(19)17(20)11-15/h3-7,10-11,21H,8-9,12H2,1-2H3,(H,22,24)
InChIKeyLKLVHQGYLLGWJY-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.33
Rot. Bonds8

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-[(dimethylamino)methyl]phenyl]propanamide

3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-[(dimethylamino)methyl]phenyl]propanamide (PubChem CID 86979332) has the molecular formula C18H21F2N3O3S and a molecular weight of 397.45 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-[(dimethylamino)methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-[(dimethylamino)methyl]phenyl]propanamide
PubChem CID86979332
Molecular FormulaC18H21F2N3O3S
Molecular Weight397.45 g/mol
Exact Mass397.13
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-[(dimethylamino)methyl]phenyl]propanamide
SMILESCN(C)Cc1cccc(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C18H21F2N3O3S/c1-23(2)12-13-4-3-5-14(10-13)22-18(24)8-9-21-27(25,26)15-6-7-16(19)17(20)11-15/h3-7,10-11,21H,8-9,12H2,1-2H3,(H,22,24)
InChIKeyLKLVHQGYLLGWJY-UHFFFAOYSA-N
XLogP2.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 34830305
N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 26578624
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 55408072
N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 55348829
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
N-(3-fluorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192108
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
N-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide
CID 46547078
N-[3-[3-[(dimethylamino)methyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 86932094
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)propanamide
CID 26500090
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26694786

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-[(dimethylamino)methyl]phenyl]propanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-[(dimethylamino)methyl]phenyl]propanamide (CID 86979332) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-[(dimethylamino)methyl]phenyl]propanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-[(dimethylamino)methyl]phenyl]propanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-[(dimethylamino)methyl]phenyl]propanamide is CN(C)Cc1cccc(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-[(dimethylamino)methyl]phenyl]propanamide?
The InChIKey is LKLVHQGYLLGWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O3S/c1-23(2)12-13-4-3-5-14(10-13)22-18(24)8-9-21-27(25,26)15-6-7-16(19)17(20)11-15/h3-7,10-11,21H,8-9,12H2,1-2H3,(H,22,24).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-[(dimethylamino)methyl]phenyl]propanamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-[(dimethylamino)methyl]phenyl]propanamide has a molecular weight of 397.45 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-[(dimethylamino)methyl]phenyl]propanamide is sourced from PubChem (CID 86979332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).