N-[4-[2-(2,5-dichlorophenoxy)propanoyl]phenyl]methanesulfonamide

C16H15Cl2NO4S — CID 18171169

IUPACN-[4-[2-(2,5-dichlorophenoxy)propanoyl]phenyl]methanesulfonamide
SMILESCC(Oc1cc(Cl)ccc1Cl)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C16H15Cl2NO4S/c1-10(23-15-9-12(17)5-8-14(15)18)16(20)11-3-6-13(7-4-11)19-24(2,21)22/h3-10,19H,1-2H3
InChIKeyWPQYBWCVZMLPQB-UHFFFAOYSA-N
MW388.27 g/mol
LogP4.02
Rot. Bonds6

About N-[4-[2-(2,5-dichlorophenoxy)propanoyl]phenyl]methanesulfonamide

N-[4-[2-(2,5-dichlorophenoxy)propanoyl]phenyl]methanesulfonamide (PubChem CID 18171169) has the molecular formula C16H15Cl2NO4S and a molecular weight of 388.27 g/mol. Its IUPAC name is N-[4-[2-(2,5-dichlorophenoxy)propanoyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(2,5-dichlorophenoxy)propanoyl]phenyl]methanesulfonamide
PubChem CID18171169
Molecular FormulaC16H15Cl2NO4S
Molecular Weight388.27 g/mol
Exact Mass387.01
IUPAC NameN-[4-[2-(2,5-dichlorophenoxy)propanoyl]phenyl]methanesulfonamide
SMILESCC(Oc1cc(Cl)ccc1Cl)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C16H15Cl2NO4S/c1-10(23-15-9-12(17)5-8-14(15)18)16(20)11-3-6-13(7-4-11)19-24(2,21)22/h3-10,19H,1-2H3
InChIKeyWPQYBWCVZMLPQB-UHFFFAOYSA-N
XLogP4.02
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-(2,5-dichlorophenoxy)propanoate
CID 103337705
N-[4-[2-(4-methylsulfonylphenoxy)propanoyl]phenyl]methanesulfonamide
CID 55358901
2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63565663
(2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one
CID 891501
(2R)-2-(2,5-dichlorophenoxy)-N-(4-fluorophenyl)propanamide
CID 7185247
2-(2,5-dichlorophenoxy)propanoyl chloride
CID 23469841
(2R)-2-(2,5-dichlorophenoxy)propanoyl chloride
CID 51663788
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
(2R)-2-(2,5-dichlorophenoxy)-N-(4-methylphenyl)propanamide
CID 2588733
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-chloropyridine-4-carboxylate
CID 46666462
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-fluorobenzoate
CID 18171371
N-[4-acetyl-2-(2,5-dichlorophenoxy)phenyl]methanesulfonamide
CID 10339350

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,5-dichlorophenoxy)propanoyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-(2,5-dichlorophenoxy)propanoyl]phenyl]methanesulfonamide (CID 18171169) is N-[4-[2-(2,5-dichlorophenoxy)propanoyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(2,5-dichlorophenoxy)propanoyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(2,5-dichlorophenoxy)propanoyl]phenyl]methanesulfonamide is CC(Oc1cc(Cl)ccc1Cl)C(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[2-(2,5-dichlorophenoxy)propanoyl]phenyl]methanesulfonamide?
The InChIKey is WPQYBWCVZMLPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4S/c1-10(23-15-9-12(17)5-8-14(15)18)16(20)11-3-6-13(7-4-11)19-24(2,21)22/h3-10,19H,1-2H3.
What are the key properties of N-[4-[2-(2,5-dichlorophenoxy)propanoyl]phenyl]methanesulfonamide?
N-[4-[2-(2,5-dichlorophenoxy)propanoyl]phenyl]methanesulfonamide has a molecular weight of 388.27 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,5-dichlorophenoxy)propanoyl]phenyl]methanesulfonamide is sourced from PubChem (CID 18171169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).