N-(5-chloro-2-methoxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide

C16H15ClF2N2O4S — CID 26582388

IUPACN-(5-chloro-2-methoxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15ClF2N2O4S/c1-25-15-5-2-10(17)8-14(15)21-16(22)6-7-20-26(23,24)11-3-4-12(18)13(19)9-11/h2-5,8-9,20H,6-7H2,1H3,(H,21,22)
InChIKeyONMAWRJLDXRELD-UHFFFAOYSA-N
MW404.82 g/mol
LogP2.93
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide

N-(5-chloro-2-methoxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide (PubChem CID 26582388) has the molecular formula C16H15ClF2N2O4S and a molecular weight of 404.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
PubChem CID26582388
Molecular FormulaC16H15ClF2N2O4S
Molecular Weight404.82 g/mol
Exact Mass404.04
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15ClF2N2O4S/c1-25-15-5-2-10(17)8-14(15)21-16(22)6-7-20-26(23,24)11-3-4-12(18)13(19)9-11/h2-5,8-9,20H,6-7H2,1H3,(H,21,22)
InChIKeyONMAWRJLDXRELD-UHFFFAOYSA-N
XLogP2.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.82
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
CID 55322337
N-(5-acetamido-2-methoxyphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 17481718
3-[(4-chlorophenyl)sulfonylamino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 17225707
3-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 17225629
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602596
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)propanamide
CID 26500090
N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 26578624
N-(5-chloro-2-methoxyphenyl)-5-[2-(4-chlorophenyl)ethylsulfamoyl]-2-fluorobenzamide
CID 4611034
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 24540770
3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chloro-4-methylphenyl)propanamide
CID 86884406
3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 109038796

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide (CID 26582388) is N-(5-chloro-2-methoxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide is COc1ccc(Cl)cc1NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
The InChIKey is ONMAWRJLDXRELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O4S/c1-25-15-5-2-10(17)8-14(15)21-16(22)6-7-20-26(23,24)11-3-4-12(18)13(19)9-11/h2-5,8-9,20H,6-7H2,1H3,(H,21,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
N-(5-chloro-2-methoxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide has a molecular weight of 404.82 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 26582388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).