N-(2,6-dichlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide

C16H15Cl2FN2O4S — CID 43890621

IUPACN-(2,6-dichlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC(C)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H15Cl2FN2O4S/c1-9(16(22)20-15-11(17)4-3-5-12(15)18)21-26(23,24)14-8-10(19)6-7-13(14)25-2/h3-9,21H,1-2H3,(H,20,22)
InChIKeyCYARMBVEXNDGFH-UHFFFAOYSA-N
MW421.28 g/mol
LogP3.45
Rot. Bonds6

About N-(2,6-dichlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide

N-(2,6-dichlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide (PubChem CID 43890621) has the molecular formula C16H15Cl2FN2O4S and a molecular weight of 421.28 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
PubChem CID43890621
Molecular FormulaC16H15Cl2FN2O4S
Molecular Weight421.28 g/mol
Exact Mass420.01
IUPAC NameN-(2,6-dichlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC(C)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H15Cl2FN2O4S/c1-9(16(22)20-15-11(17)4-3-5-12(15)18)21-26(23,24)14-8-10(19)6-7-13(14)25-2/h3-9,21H,1-2H3,(H,20,22)
InChIKeyCYARMBVEXNDGFH-UHFFFAOYSA-N
XLogP3.45
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.28
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890625
N-(3-chloro-4-methylphenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890617
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 43890648
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 28549552
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890558
N-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide
CID 43890485
N-(2,4-difluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide
CID 43890502
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
CID 43890659
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43906630
2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 43890547
(2R)-N-(3-chloro-4-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7376444
(2R)-N-(2,5-dichlorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 124548996

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide (CID 43890621) is N-(2,6-dichlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide is COc1ccc(F)cc1S(=O)(=O)NC(C)C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide?
The InChIKey is CYARMBVEXNDGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN2O4S/c1-9(16(22)20-15-11(17)4-3-5-12(15)18)21-26(23,24)14-8-10(19)6-7-13(14)25-2/h3-9,21H,1-2H3,(H,20,22).
What are the key properties of N-(2,6-dichlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide?
N-(2,6-dichlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide has a molecular weight of 421.28 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 43890621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).