2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide

C22H20ClFN2O4S — CID 3292626

IUPAC2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)Cc2ccccc2)cc1Cl
InChIInChI=1S/C22H20ClFN2O4S/c1-30-21-12-11-19(13-20(21)23)31(28,29)26(14-16-5-3-2-4-6-16)15-22(27)25-18-9-7-17(24)8-10-18/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyJQWSOQPMIKAPCU-UHFFFAOYSA-N
MW462.93 g/mol
LogP4.32
Rot. Bonds8

About 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide

2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 3292626) has the molecular formula C22H20ClFN2O4S and a molecular weight of 462.93 g/mol. Its IUPAC name is 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
PubChem CID3292626
Molecular FormulaC22H20ClFN2O4S
Molecular Weight462.93 g/mol
Exact Mass462.08
IUPAC Name2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)Cc2ccccc2)cc1Cl
InChIInChI=1S/C22H20ClFN2O4S/c1-30-21-12-11-19(13-20(21)23)31(28,29)26(14-16-5-3-2-4-6-16)15-22(27)25-18-9-7-17(24)8-10-18/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyJQWSOQPMIKAPCU-UHFFFAOYSA-N
XLogP4.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.93
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 3955191
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 43872455
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 126058112
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 1251344
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-iodophenyl)acetamide
CID 126393774
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-phenylacetamide
CID 23913704
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 2984766
2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
CID 1435666
N-(3-chloro-4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069625
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 126010033
2-[benzyl-(3,4-dichlorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695357
N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 3372862

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide (CID 3292626) is 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)Cc2ccccc2)cc1Cl.
What is the InChIKey of 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is JQWSOQPMIKAPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O4S/c1-30-21-12-11-19(13-20(21)23)31(28,29)26(14-16-5-3-2-4-6-16)15-22(27)25-18-9-7-17(24)8-10-18/h2-13H,14-15H2,1H3,(H,25,27).
What are the key properties of 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide?
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 462.93 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 3292626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).