3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide

C17H18ClFN2O3S — CID 51162789

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClFN2O3S/c1-21(12-13-5-7-15(19)8-6-13)17(22)9-10-20-25(23,24)16-4-2-3-14(18)11-16/h2-8,11,20H,9-10,12H2,1H3
InChIKeyBAKUIJAAUGVAOP-UHFFFAOYSA-N
MW384.86 g/mol
LogP2.81
Rot. Bonds7

About 3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide

3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide (PubChem CID 51162789) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
PubChem CID51162789
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClFN2O3S/c1-21(12-13-5-7-15(19)8-6-13)17(22)9-10-20-25(23,24)16-4-2-3-14(18)11-16/h2-8,11,20H,9-10,12H2,1H3
InChIKeyBAKUIJAAUGVAOP-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 55348829
N-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 31182434
3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
CID 51125196
3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 31152143
N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 26594048
(4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982280
N-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 39860929
3-[(3-chlorophenyl)sulfonylamino]-N-(2-cyanoethyl)-N-methylpropanamide
CID 78797988
N-[(3-chlorophenyl)methyl]-3-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 55349042
N-[(3,4-difluorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 55557770
N-[(5-chlorothiophen-2-yl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 51177409
N-benzyl-3-(3-chlorophenyl)sulfonyl-N-methylpropanamide
CID 110409524

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide (CID 51162789) is 3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide is CN(Cc1ccc(F)cc1)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide?
The InChIKey is BAKUIJAAUGVAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-21(12-13-5-7-15(19)8-6-13)17(22)9-10-20-25(23,24)16-4-2-3-14(18)11-16/h2-8,11,20H,9-10,12H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide?
3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide has a molecular weight of 384.86 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 51162789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).