N-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide

C17H17Cl2FN2O3S — CID 31182434

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H17Cl2FN2O3S/c1-22(11-14-15(19)6-3-7-16(14)20)17(23)8-9-21-26(24,25)13-5-2-4-12(18)10-13/h2-7,10,21H,8-9,11H2,1H3
InChIKeyNPBCWANLDYQVHY-UHFFFAOYSA-N
MW419.31 g/mol
LogP3.46
Rot. Bonds7

About N-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide

N-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 31182434) has the molecular formula C17H17Cl2FN2O3S and a molecular weight of 419.31 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide
PubChem CID31182434
Molecular FormulaC17H17Cl2FN2O3S
Molecular Weight419.31 g/mol
Exact Mass418.03
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H17Cl2FN2O3S/c1-22(11-14-15(19)6-3-7-16(14)20)17(23)8-9-21-26(24,25)13-5-2-4-12(18)10-13/h2-7,10,21H,8-9,11H2,1H3
InChIKeyNPBCWANLDYQVHY-UHFFFAOYSA-N
XLogP3.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 51162789
N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 55348829
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
3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 60936879
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide
CID 34391326
3-[(3-chlorophenyl)sulfonylamino]-N-(2-cyanoethyl)-N-methylpropanamide
CID 78797988
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
N-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 36556440
N-[(3-chlorophenyl)methyl]-3-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 55349042
N-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 18168559
N-butyl-3-[(3-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 35825092

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide (CID 31182434) is N-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide is CN(Cc1c(F)cccc1Cl)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is NPBCWANLDYQVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O3S/c1-22(11-14-15(19)6-3-7-16(14)20)17(23)8-9-21-26(24,25)13-5-2-4-12(18)10-13/h2-7,10,21H,8-9,11H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide?
N-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 419.31 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 31182434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).