2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide

C17H18ClFN2O4S — CID 9106527

IUPAC2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H18ClFN2O4S/c1-21(2)26(23,24)16-9-11(7-8-15(16)25-3)20-17(22)10-12-13(18)5-4-6-14(12)19/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyQEQAUWBXFMOQAQ-UHFFFAOYSA-N
MW400.86 g/mol
LogP2.92
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide (PubChem CID 9106527) has the molecular formula C17H18ClFN2O4S and a molecular weight of 400.86 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
PubChem CID9106527
Molecular FormulaC17H18ClFN2O4S
Molecular Weight400.86 g/mol
Exact Mass400.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H18ClFN2O4S/c1-21(2)26(23,24)16-9-11(7-8-15(16)25-3)20-17(22)10-12-13(18)5-4-6-14(12)19/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyQEQAUWBXFMOQAQ-UHFFFAOYSA-N
XLogP2.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.86
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-6-fluorophenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973521
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 9109103
2-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9165979
N-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide
CID 9320671
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 46693870
3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide
CID 9020974
2-(2-chloro-6-fluorophenyl)-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 35332134
2-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)acetamide
CID 839117
2-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)acetamide
CID 9413330
2-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 51157673
2-(2,6-dichlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2672915
2-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)acetamide
CID 2112014

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide (CID 9106527) is 2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide is COc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide?
The InChIKey is QEQAUWBXFMOQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O4S/c1-21(2)26(23,24)16-9-11(7-8-15(16)25-3)20-17(22)10-12-13(18)5-4-6-14(12)19/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide has a molecular weight of 400.86 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide is sourced from PubChem (CID 9106527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).